data_U60_6_UO2_4
_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    -0.57505   0.66994  -0.34755   0.00000  Uiso   1.00
O2     O    -0.70992   0.60459  -0.36612   0.00000  Uiso   1.00
O3     O    -0.63624   0.51821  -0.26667   0.00000  Uiso   1.00
O4     O    -0.57505   0.66994  -0.61501   0.00000  Uiso   1.00
O5     O    -0.70992   0.60459  -0.59645   0.00000  Uiso   1.00
O6     O    -0.63624   0.51821  -0.69590   0.00000  Uiso   1.00
O7     O    -0.30684   0.61974  -0.48128   0.00000  Uiso   1.00
O8     O    -0.29926   0.44131  -0.48128   0.00000  Uiso   1.00
O9     O    -0.49247   0.61974  -0.48128   0.00000  Uiso   1.00
O10    O    -0.50004   0.44131  -0.48128   0.00000  Uiso   1.00
O11    O    -0.61426   0.65460  -0.20435   0.00000  Uiso   1.00
O12    O    -0.61426   0.65460  -0.75822   0.00000  Uiso   1.00
O13    O    -0.39965   0.52522  -0.41196   0.00000  Uiso   1.00
O14    O    -0.39965   0.52522  -0.55061   0.00000  Uiso   1.00
O15    O    -0.26441   0.52598  -0.59361   0.00000  Uiso   1.00
O16    O    -0.53490   0.52598  -0.36896   0.00000  Uiso   1.00
O17    O    -0.50289   0.58962  -0.24564   0.00000  Uiso   1.00
O18    O    -0.53490   0.52598  -0.59361   0.00000  Uiso   1.00
O19    O    -0.50289   0.58962  -0.71692   0.00000  Uiso   1.00
O20    O    -0.26441   0.52598  -0.36896   0.00000  Uiso   1.00
O21    O    -0.20417   0.53507  -0.55307   0.00000  Uiso   1.00
O22    O    -0.59513   0.53507  -0.40949   0.00000  Uiso   1.00
O23    O    -0.71693   0.63774  -0.29982   0.00000  Uiso   1.00
O24    O    -0.59513   0.53507  -0.55307   0.00000  Uiso   1.00
O25    O    -0.71693   0.63774  -0.66275   0.00000  Uiso   1.00
O26    O    -0.20417   0.53507  -0.40949   0.00000  Uiso   1.00
U27    U    -0.30077   0.52958  -0.48128   0.00000  Uiso   1.00
U28    U    -0.49853   0.52958  -0.48128   0.00000  Uiso   1.00
U29    U    -0.60593   0.59474  -0.30759   0.00000  Uiso   1.00
U30    U    -0.60593   0.59474  -0.65498   0.00000  Uiso   1.00
H31    H    -0.25361   0.48435  -0.61866   0.00000  Uiso   1.00
H32    H    -0.18738   0.57889  -0.56984   0.00000  Uiso   1.00
H33    H    -0.17630   0.49503  -0.39727   0.00000  Uiso   1.00
H34    H    -0.26367   0.56672  -0.34031   0.00000  Uiso   1.00
H35    H    -0.75268   0.61004  -0.27902   0.00000  Uiso   1.00
H36    H    -0.71982   0.64262  -0.39664   0.00000  Uiso   1.00
H37    H    -0.74326   0.56793  -0.60082   0.00000  Uiso   1.00
H38    H    -0.72704   0.68426  -0.64816   0.00000  Uiso   1.00
H39    H    -0.39910   0.48408  -0.38513   0.00000  Uiso   1.00
H40    H    -0.39985   0.48373  -0.57692   0.00000  Uiso   1.00
H41    H    -0.51553   0.62653  -0.74724   0.00000  Uiso   1.00
H42    H    -0.63438   0.69870  -0.75046   0.00000  Uiso   1.00
H43    H    -0.56922   0.64072  -0.18969   0.00000  Uiso   1.00
H44    H    -0.47615   0.62971  -0.25519   0.00000  Uiso   1.00
H45    H    -0.50705   0.56897  -0.59559   0.00000  Uiso   1.00
H46    H    -0.50627   0.56853  -0.36709   0.00000  Uiso   1.00
O47    O    -0.62749   0.36449  -0.65882   0.00000  Uiso   1.00
O48    O    -0.53351   0.22901  -0.64384   0.00000  Uiso   1.00
O49    O    -0.57437   0.31497  -0.52125   0.00000  Uiso   1.00
U50    U    -0.62008   0.27539  -0.60567   0.00000  Uiso   1.00
H51    H    -0.54945   0.35493  -0.50632   0.00000  Uiso   1.00
H52    H    -0.63095   0.41247  -0.67015   0.00000  Uiso   1.00
H53    H    -0.48450   0.23002  -0.64006   0.00000  Uiso   1.00
O54    O    -0.71302   0.26052  -0.55736   0.00000  Uiso   1.00
H55    H    -0.73177   0.27066  -0.51297   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
O2     H36     0.995   .     S
O2     O23     1.489   .     S
O5     H37     0.995   .     S
O5     O25     1.489   .     S
O11    H43     0.987   .     S
O12    H42     0.982   .     S
O13    H39     0.982   .     S
O14    H40     0.983   .     S
O15    H31     0.995   .     S
O15    O21     1.463   .     S
O16    H46     1.027   .     S
O16    O22     1.463   .     S
O17    H44     0.982   .     S
O18    H45     1.025   .     S
O18    O24     1.463   .     S
O19    H41     0.988   .     S
O20    H34     0.996   .     S
O20    O26     1.463   .     S
O21    H32     0.997   .     S
O23    H35     0.995   .     S
O25    H38     0.996   .     S
O26    H33     1.006   .     S
O47    H52     0.989   .     S
O48    H53     0.983   .     S
O49    H51     0.988   .     S
O54    H55     0.985   .     S
