data_U60_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     1.41649  -0.39196  -0.37105   0.00000  Uiso   1.00
O2     O     1.28162  -0.45731  -0.38961   0.00000  Uiso   1.00
O3     O     1.35531  -0.54369  -0.29017   0.00000  Uiso   1.00
O4     O     1.41649  -0.39196  -0.63851   0.00000  Uiso   1.00
O5     O     1.28162  -0.45731  -0.61995   0.00000  Uiso   1.00
O6     O     1.35531  -0.54369  -0.71939   0.00000  Uiso   1.00
O7     O     1.68471  -0.44216  -0.50478   0.00000  Uiso   1.00
O8     O     1.69228  -0.62059  -0.50478   0.00000  Uiso   1.00
O9     O     1.50703  -0.42587  -0.50482   0.00000  Uiso   1.00
O10    O     1.48962  -0.64018  -0.50541   0.00000  Uiso   1.00
O11    O     1.37728  -0.40731  -0.22785   0.00000  Uiso   1.00
O12    O     1.37728  -0.40731  -0.78171   0.00000  Uiso   1.00
O13    O     1.59189  -0.53668  -0.43545   0.00000  Uiso   1.00
O14    O     1.59189  -0.53668  -0.57411   0.00000  Uiso   1.00
O15    O     1.72714  -0.53592  -0.61711   0.00000  Uiso   1.00
O16    O     1.45665  -0.53592  -0.39245   0.00000  Uiso   1.00
O17    O     1.48866  -0.47228  -0.26914   0.00000  Uiso   1.00
O18    O     1.45665  -0.53592  -0.61711   0.00000  Uiso   1.00
O19    O     1.48866  -0.47228  -0.74042   0.00000  Uiso   1.00
O20    O     1.72714  -0.53592  -0.39245   0.00000  Uiso   1.00
O21    O     1.78737  -0.52683  -0.57657   0.00000  Uiso   1.00
O22    O     1.39641  -0.52683  -0.43299   0.00000  Uiso   1.00
O23    O     1.27461  -0.42417  -0.32332   0.00000  Uiso   1.00
O24    O     1.39641  -0.52683  -0.57657   0.00000  Uiso   1.00
O25    O     1.27461  -0.42417  -0.68625   0.00000  Uiso   1.00
O26    O     1.78737  -0.52683  -0.43299   0.00000  Uiso   1.00
U1     U     1.69077  -0.53232  -0.50478   0.00000  Uiso   1.00
U2     U     1.49301  -0.53232  -0.50478   0.00000  Uiso   1.00
U3     U     1.38561  -0.46716  -0.33108   0.00000  Uiso   1.00
U4     U     1.38561  -0.46716  -0.67848   0.00000  Uiso   1.00
H1     H     1.73698  -0.57867  -0.64048   0.00000  Uiso   1.00
H2     H     1.80421  -0.48320  -0.59337   0.00000  Uiso   1.00
H3     H     1.81365  -0.56735  -0.42118   0.00000  Uiso   1.00
H4     H     1.72817  -0.49554  -0.36346   0.00000  Uiso   1.00
H5     H     1.23894  -0.45181  -0.30254   0.00000  Uiso   1.00
H6     H     1.27306  -0.41902  -0.42001   0.00000  Uiso   1.00
H7     H     1.24774  -0.49339  -0.62389   0.00000  Uiso   1.00
H8     H     1.26512  -0.37743  -0.67237   0.00000  Uiso   1.00
H9     H     1.58855  -0.57244  -0.40208   0.00000  Uiso   1.00
H10    H     1.58912  -0.57518  -0.60434   0.00000  Uiso   1.00
H11    H     1.52021  -0.49732  -0.71236   0.00000  Uiso   1.00
H12    H     1.33087  -0.40473  -0.79761   0.00000  Uiso   1.00
H13    H     1.35372  -0.43679  -0.19652   0.00000  Uiso   1.00
H14    H     1.46696  -0.44571  -0.23372   0.00000  Uiso   1.00
H15    H     1.44831  -0.66165  -0.52168   0.00000  Uiso   1.00
H16    H     1.55132  -0.40704  -0.51573   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     H6      0.993   .     S
O2     O23     1.489   .     S
O5     H7      0.993   .     S
O5     O25     1.489   .     S
O9     H16     0.987   .     S
O10    H15     0.986   .     S
O11    H13     0.981   .     S
O12    H12     0.982   .     S
O13    H9      0.981   .     S
O14    H10     0.981   .     S
O15    H1      0.994   .     S
O15    O21     1.463   .     S
O16    O22     1.463   .     S
O17    H14     0.986   .     S
O18    O24     1.463   .     S
O19    H11     0.982   .     S
O20    H4      0.994   .     S
O20    O26     1.463   .     S
O21    H2      0.994   .     S
O23    H5      0.994   .     S
O25    H8      0.993   .     S
O26    H3      0.994   .     S
