data_U60_5
_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     1.41486  -0.37426   0.61725   0.00000  Uiso   1.00
O2     O     1.27999  -0.43961   0.59869   0.00000  Uiso   1.00
O3     O     1.35368  -0.52599   0.69813   0.00000  Uiso   1.00
O4     O     1.41486  -0.37426   0.34979   0.00000  Uiso   1.00
O5     O     1.27999  -0.43961   0.36835   0.00000  Uiso   1.00
O6     O     1.35368  -0.52599   0.26891   0.00000  Uiso   1.00
O7     O     1.68308  -0.42446   0.48352   0.00000  Uiso   1.00
O8     O     1.69065  -0.60289   0.48352   0.00000  Uiso   1.00
O9     O     1.49745  -0.42446   0.48352   0.00000  Uiso   1.00
O10    O     1.48987  -0.60289   0.48352   0.00000  Uiso   1.00
O11    O     1.37565  -0.38961   0.76045   0.00000  Uiso   1.00
O12    O     1.37565  -0.38961   0.20659   0.00000  Uiso   1.00
O13    O     1.59026  -0.51898   0.55285   0.00000  Uiso   1.00
O14    O     1.59026  -0.51898   0.41419   0.00000  Uiso   1.00
O15    O     1.72551  -0.51822   0.37119   0.00000  Uiso   1.00
O16    O     1.45502  -0.51822   0.59585   0.00000  Uiso   1.00
O17    O     1.48703  -0.45458   0.71916   0.00000  Uiso   1.00
O18    O     1.45502  -0.51822   0.37119   0.00000  Uiso   1.00
O19    O     1.48703  -0.45458   0.24788   0.00000  Uiso   1.00
O20    O     1.72551  -0.51822   0.59585   0.00000  Uiso   1.00
O21    O     1.78574  -0.50913   0.41173   0.00000  Uiso   1.00
O22    O     1.39478  -0.50913   0.55531   0.00000  Uiso   1.00
O23    O     1.27298  -0.40647   0.66498   0.00000  Uiso   1.00
O24    O     1.39478  -0.50913   0.41173   0.00000  Uiso   1.00
O25    O     1.27298  -0.40647   0.30205   0.00000  Uiso   1.00
O26    O     1.78574  -0.50913   0.55531   0.00000  Uiso   1.00
U1     U     1.68914  -0.51462   0.48352   0.00000  Uiso   1.00
U2     U     1.49138  -0.51462   0.48352   0.00000  Uiso   1.00
U3     U     1.38398  -0.44946   0.65722   0.00000  Uiso   1.00
U4     U     1.38398  -0.44946   0.30982   0.00000  Uiso   1.00
H1     H     1.73507  -0.56129   0.34813   0.00000  Uiso   1.00
H2     H     1.80282  -0.46565   0.39460   0.00000  Uiso   1.00
H3     H     1.81182  -0.54975   0.56742   0.00000  Uiso   1.00
H4     H     1.72703  -0.47809   0.62524   0.00000  Uiso   1.00
H5     H     1.23743  -0.43429   0.68587   0.00000  Uiso   1.00
H6     H     1.27063  -0.40158   0.56811   0.00000  Uiso   1.00
H7     H     1.24567  -0.47538   0.36466   0.00000  Uiso   1.00
H8     H     1.26294  -0.35980   0.31600   0.00000  Uiso   1.00
H9     H     1.58999  -0.56045   0.57905   0.00000  Uiso   1.00
H10    H     1.58972  -0.55823   0.38464   0.00000  Uiso   1.00
H11    H     1.49776  -0.50193   0.23995   0.00000  Uiso   1.00
H12    H     1.32884  -0.38085   0.19446   0.00000  Uiso   1.00
H13    H     1.35722  -0.42099   0.79333   0.00000  Uiso   1.00
H14    H     1.46479  -0.42496   0.75202   0.00000  Uiso   1.00
H15    H     1.48283  -0.47517   0.36852   0.00000  Uiso   1.00
H16    H     1.48220  -0.47492   0.59732   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      0.994   .     S
O2     O23     1.489   .     S
O5     H7      0.994   .     S
O5     O25     1.489   .     S
O11    H13     0.981   .     S
O12    H12     0.983   .     S
O13    H9      0.981   .     S
O14    H10     0.983   .     S
O15    H1      0.996   .     S
O15    O21     1.463   .     S
O16    H16     1.023   .     S
O16    O22     1.463   .     S
O17    H14     0.990   .     S
O18    H15     1.026   .     S
O18    O24     1.463   .     S
O19    H11     0.984   .     S
O20    H4      0.995   .     S
O20    O26     1.463   .     S
O21    H2      0.995   .     S
O23    H5      0.995   .     S
O25    H8      0.995   .     S
O26    H3      0.995   .     S
