data_U60_6_UO2_6_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     1.51439  -0.87924  -0.58512   0.00000  Uiso   1.00
O2     O     1.59862  -0.78909  -0.56394   0.00000  Uiso   1.00
O3     O     1.58810  -0.84093  -0.67779   0.00000  Uiso   1.00
S1     S     1.55144  -0.82297  -0.61597   0.00000  Uiso   1.00
O4     O     1.44713  -0.22594  -0.35606   0.00000  Uiso   1.00
O5     O     1.31226  -0.29129  -0.37462   0.00000  Uiso   1.00
O6     O     1.38594  -0.37767  -0.27517   0.00000  Uiso   1.00
O7     O     1.44713  -0.22594  -0.62352   0.00000  Uiso   1.00
O8     O     1.31226  -0.29129  -0.60495   0.00000  Uiso   1.00
O9     O     1.38594  -0.37767  -0.70440   0.00000  Uiso   1.00
O10    O     1.71535  -0.27614  -0.48979   0.00000  Uiso   1.00
O11    O     1.72292  -0.45457  -0.48979   0.00000  Uiso   1.00
O12    O     1.52971  -0.27614  -0.48979   0.00000  Uiso   1.00
O13    O     1.52214  -0.45457  -0.48979   0.00000  Uiso   1.00
O14    O     1.40792  -0.24128  -0.21285   0.00000  Uiso   1.00
O15    O     1.40792  -0.24128  -0.76672   0.00000  Uiso   1.00
O16    O     1.62253  -0.37066  -0.42046   0.00000  Uiso   1.00
O17    O     1.62253  -0.37066  -0.55911   0.00000  Uiso   1.00
O18    O     1.75778  -0.36990  -0.60211   0.00000  Uiso   1.00
O19    O     1.48728  -0.36990  -0.37746   0.00000  Uiso   1.00
O20    O     1.51930  -0.30626  -0.25415   0.00000  Uiso   1.00
O21    O     1.48728  -0.36990  -0.60211   0.00000  Uiso   1.00
O22    O     1.51930  -0.30626  -0.72543   0.00000  Uiso   1.00
O23    O     1.75778  -0.36990  -0.37746   0.00000  Uiso   1.00
O24    O     1.81801  -0.36081  -0.56158   0.00000  Uiso   1.00
O25    O     1.42705  -0.36081  -0.41800   0.00000  Uiso   1.00
O26    O     1.30525  -0.25814  -0.30832   0.00000  Uiso   1.00
O27    O     1.42705  -0.36081  -0.56158   0.00000  Uiso   1.00
O28    O     1.30525  -0.25814  -0.67125   0.00000  Uiso   1.00
O29    O     1.81801  -0.36081  -0.41800   0.00000  Uiso   1.00
U1     U     1.72141  -0.36630  -0.48979   0.00000  Uiso   1.00
U2     U     1.52365  -0.36630  -0.48979   0.00000  Uiso   1.00
U3     U     1.41625  -0.30114  -0.31609   0.00000  Uiso   1.00
U4     U     1.41625  -0.30114  -0.66349   0.00000  Uiso   1.00
H1     H     1.76823  -0.41196  -0.62675   0.00000  Uiso   1.00
H2     H     1.83508  -0.31715  -0.57855   0.00000  Uiso   1.00
H3     H     1.84449  -0.40134  -0.40606   0.00000  Uiso   1.00
H4     H     1.75907  -0.32983  -0.34779   0.00000  Uiso   1.00
H5     H     1.26934  -0.28569  -0.28755   0.00000  Uiso   1.00
H6     H     1.30265  -0.25322  -0.40518   0.00000  Uiso   1.00
H7     H     1.27729  -0.32657  -0.60820   0.00000  Uiso   1.00
H8     H     1.29529  -0.21131  -0.65753   0.00000  Uiso   1.00
H9     H     1.62289  -0.41075  -0.39199   0.00000  Uiso   1.00
H10    H     1.62242  -0.41165  -0.58629   0.00000  Uiso   1.00
H11    H     1.52387  -0.35235  -0.74262   0.00000  Uiso   1.00
H12    H     1.36420  -0.24883  -0.78816   0.00000  Uiso   1.00
H13    H     1.38835  -0.27171  -0.17964   0.00000  Uiso   1.00
H14    H     1.49967  -0.27458  -0.22154   0.00000  Uiso   1.00
O30    O     1.46442  -0.57675  -0.52799   0.00000  Uiso   1.00
O31    O     1.58344  -0.59599  -0.46166   0.00000  Uiso   1.00
O32    O     1.49134  -0.71606  -0.48401   0.00000  Uiso   1.00
O33    O     1.44630  -0.65158  -0.63194   0.00000  Uiso   1.00
O34    O     1.59459  -0.63633  -0.60904   0.00000  Uiso   1.00
O35    O     1.65681  -0.70688  -0.48635   0.00000  Uiso   1.00
U5     U     1.54311  -0.68119  -0.54967   0.00000  Uiso   1.00
H15    H     1.41829  -0.69030  -0.64383   0.00000  Uiso   1.00
H16    H     1.48739  -0.53490  -0.51444   0.00000  Uiso   1.00
H17    H     1.62060  -0.56508  -0.47075   0.00000  Uiso   1.00
H18    H     1.41650  -0.61832  -0.61101   0.00000  Uiso   1.00
H19    H     1.67644  -0.74690  -0.50773   0.00000  Uiso   1.00
H20    H     1.59304  -0.61511  -0.41726   0.00000  Uiso   1.00
H21    H     1.51526  -0.32691  -0.60628   0.00000  Uiso   1.00
H22    H     1.51492  -0.32677  -0.37552   0.00000  Uiso   1.00
H23    H     1.69186  -0.67250  -0.49084   0.00000  Uiso   1.00
H24    H     1.43390  -0.58590  -0.49055   0.00000  Uiso   1.00
O36    O     1.50348  -0.76294  -0.62978   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      1.482   .     S
O2     S1      1.559   .     S
O3     S1      1.482   .     S
S1     O36     1.561   .     S
O5     H6      0.995   .     S
O5     O26     1.489   .     S
O8     H7      0.996   .     S
O8     O28     1.489   .     S
O14    H13     0.982   .     S
O15    H12     0.985   .     S
O16    H9      0.984   .     S
O17    H10     0.984   .     S
O18    O24     1.463   .     S
O18    H1      0.997   .     S
O19    O25     1.463   .     S
O19    H22     1.025   .     S
O20    H14     0.990   .     S
O21    O27     1.463   .     S
O21    H21     1.029   .     S
O22    H11     0.988   .     S
O23    O29     1.463   .     S
O23    H4      0.998   .     S
O24    H2      0.997   .     S
O26    H5      0.996   .     S
O28    H8      0.996   .     S
O29    H3      0.997   .     S
O30    H16     0.993   .     S
O30    H24     0.983   .     S
O31    H20     0.986   .     S
O31    H17     0.984   .     S
O33    H15     0.985   .     S
O33    H18     0.986   .     S
O35    H23     0.986   .     S
O35    H19     0.989   .     S
