data_U60_6_UO2_5_SO4
_audit_creation_date              2022-09-12
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'P1'
_symmetry_Int_Tables_number       1
_symmetry_cell_setting            triclinic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
_cell_length_a                    20.0000
_cell_length_b                    20.0000
_cell_length_c                    20.0000
_cell_angle_alpha                 90.0000
_cell_angle_beta                  90.0000
_cell_angle_gamma                 90.0000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
O1     O     1.51323  -0.86076  -0.58493   0.00000  Uiso   1.00
O2     O     1.60022  -0.77166  -0.57396   0.00000  Uiso   1.00
O3     O     1.58180  -0.82850  -0.68375   0.00000  Uiso   1.00
S1     S     1.54875  -0.80623  -0.62096   0.00000  Uiso   1.00
O4     O     1.44476  -0.20703  -0.35729   0.00000  Uiso   1.00
O5     O     1.30990  -0.27238  -0.37585   0.00000  Uiso   1.00
O6     O     1.38358  -0.35876  -0.27641   0.00000  Uiso   1.00
O7     O     1.44476  -0.20703  -0.62475   0.00000  Uiso   1.00
O8     O     1.30990  -0.27238  -0.60619   0.00000  Uiso   1.00
O9     O     1.38358  -0.35876  -0.70564   0.00000  Uiso   1.00
O10    O     1.71298  -0.25723  -0.49102   0.00000  Uiso   1.00
O11    O     1.72056  -0.43566  -0.49102   0.00000  Uiso   1.00
O12    O     1.52735  -0.25723  -0.49102   0.00000  Uiso   1.00
O13    O     1.51977  -0.43566  -0.49102   0.00000  Uiso   1.00
O14    O     1.40555  -0.22237  -0.21409   0.00000  Uiso   1.00
O15    O     1.40555  -0.22237  -0.76795   0.00000  Uiso   1.00
O16    O     1.62017  -0.35175  -0.42169   0.00000  Uiso   1.00
O17    O     1.62017  -0.35175  -0.56035   0.00000  Uiso   1.00
O18    O     1.75541  -0.35099  -0.60335   0.00000  Uiso   1.00
O19    O     1.48492  -0.35099  -0.37870   0.00000  Uiso   1.00
O20    O     1.51693  -0.28735  -0.25538   0.00000  Uiso   1.00
O21    O     1.48492  -0.35099  -0.60335   0.00000  Uiso   1.00
O22    O     1.51693  -0.28735  -0.72666   0.00000  Uiso   1.00
O23    O     1.75541  -0.35099  -0.37870   0.00000  Uiso   1.00
O24    O     1.81565  -0.34190  -0.56281   0.00000  Uiso   1.00
O25    O     1.42468  -0.34190  -0.41923   0.00000  Uiso   1.00
O26    O     1.30289  -0.23923  -0.30956   0.00000  Uiso   1.00
O27    O     1.42468  -0.34190  -0.56281   0.00000  Uiso   1.00
O28    O     1.30289  -0.23923  -0.67249   0.00000  Uiso   1.00
O29    O     1.81565  -0.34190  -0.41923   0.00000  Uiso   1.00
U1     U     1.71904  -0.34739  -0.49102   0.00000  Uiso   1.00
U2     U     1.52129  -0.34739  -0.49102   0.00000  Uiso   1.00
U3     U     1.41389  -0.28223  -0.31732   0.00000  Uiso   1.00
U4     U     1.41389  -0.28223  -0.66472   0.00000  Uiso   1.00
H1     H     1.76589  -0.39311  -0.62774   0.00000  Uiso   1.00
H2     H     1.83286  -0.29837  -0.57977   0.00000  Uiso   1.00
H3     H     1.84215  -0.38232  -0.40726   0.00000  Uiso   1.00
H4     H     1.75669  -0.31092  -0.34913   0.00000  Uiso   1.00
H5     H     1.26719  -0.26686  -0.28860   0.00000  Uiso   1.00
H6     H     1.30038  -0.23430  -0.40639   0.00000  Uiso   1.00
H7     H     1.27535  -0.30802  -0.60966   0.00000  Uiso   1.00
H8     H     1.29234  -0.19258  -0.65875   0.00000  Uiso   1.00
H9     H     1.62041  -0.39251  -0.39429   0.00000  Uiso   1.00
H10    H     1.61986  -0.39309  -0.58690   0.00000  Uiso   1.00
H11    H     1.50031  -0.31009  -0.76685   0.00000  Uiso   1.00
H12    H     1.35892  -0.21321  -0.78031   0.00000  Uiso   1.00
H13    H     1.38627  -0.25318  -0.18111   0.00000  Uiso   1.00
H14    H     1.49608  -0.25631  -0.22303   0.00000  Uiso   1.00
O30    O     1.47054  -0.55873  -0.52808   0.00000  Uiso   1.00
O31    O     1.59823  -0.57792  -0.46480   0.00000  Uiso   1.00
O32    O     1.49888  -0.69781  -0.48960   0.00000  Uiso   1.00
O33    O     1.44436  -0.63105  -0.63466   0.00000  Uiso   1.00
O34    O     1.59362  -0.61745  -0.62269   0.00000  Uiso   1.00
O35    O     1.66479  -0.68228  -0.50744   0.00000  Uiso   1.00
U5     U     1.54652  -0.66202  -0.55864   0.00000  Uiso   1.00
H15    H     1.41584  -0.67051  -0.64162   0.00000  Uiso   1.00
H16    H     1.48798  -0.51302  -0.51895   0.00000  Uiso   1.00
H17    H     1.60465  -0.53021  -0.47461   0.00000  Uiso   1.00
H18    H     1.41704  -0.59868  -0.60952   0.00000  Uiso   1.00
H19    H     1.67203  -0.72970  -0.49652   0.00000  Uiso   1.00
H20    H     1.57371  -0.57833  -0.42218   0.00000  Uiso   1.00
H21    H     1.51280  -0.30825  -0.60476   0.00000  Uiso   1.00
H22    H     1.51258  -0.30817  -0.37756   0.00000  Uiso   1.00
H23    H     1.66757  -0.65758  -0.46493   0.00000  Uiso   1.00
H24    H     1.44277  -0.56882  -0.48881   0.00000  Uiso   1.00
O36    O     1.50058  -0.74684  -0.63546   0.00000  Uiso   1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
O1     S1      1.488   .     S
O2     S1      1.556   .     S
O3     S1      1.487   .     S
S1     O36     1.557   .     S
O5     H6      0.995   .     S
O5     O26     1.489   .     S
O8     H7      0.995   .     S
O8     O28     1.489   .     S
O14    H13     0.982   .     S
O15    H12     0.982   .     S
O16    H9      0.982   .     S
O17    H10     0.983   .     S
O18    O24     1.463   .     S
O18    H1      0.996   .     S
O19    O25     1.463   .     S
O19    H22     1.020   .     S
O20    H14     0.989   .     S
O21    O27     1.463   .     S
O21    H21     1.021   .     S
O22    H11     0.982   .     S
O23    O29     1.463   .     S
O23    H4      0.996   .     S
O24    H2      0.996   .     S
O26    H5      0.995   .     S
O28    H8      0.995   .     S
O29    H3      0.996   .     S
O30    H16     0.995   .     S
O30    H24     0.983   .     S
O31    H20     0.983   .     S
O31    H17     0.983   .     S
O33    H15     0.983   .     S
O33    H18     0.985   .     S
O35    H19     0.984   .     S
O35    H23     0.985   .     S
