data_U60_6
_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     1.43121  -0.36530  -0.37199   0.00000  Uiso   1.00
O2     O     1.29634  -0.43065  -0.39056   0.00000  Uiso   1.00
O3     O     1.37003  -0.51703  -0.29111   0.00000  Uiso   1.00
O4     O     1.43121  -0.36530  -0.63945   0.00000  Uiso   1.00
O5     O     1.29634  -0.43065  -0.62089   0.00000  Uiso   1.00
O6     O     1.37003  -0.51703  -0.72034   0.00000  Uiso   1.00
O7     O     1.69943  -0.41550  -0.50572   0.00000  Uiso   1.00
O8     O     1.70701  -0.59393  -0.50572   0.00000  Uiso   1.00
O9     O     1.51380  -0.41550  -0.50572   0.00000  Uiso   1.00
O10    O     1.50622  -0.59393  -0.50572   0.00000  Uiso   1.00
O11    O     1.39200  -0.38065  -0.22879   0.00000  Uiso   1.00
O12    O     1.39200  -0.38065  -0.78266   0.00000  Uiso   1.00
O13    O     1.60661  -0.51002  -0.43640   0.00000  Uiso   1.00
O14    O     1.60661  -0.51002  -0.57505   0.00000  Uiso   1.00
O15    O     1.74186  -0.50926  -0.61805   0.00000  Uiso   1.00
O16    O     1.47137  -0.50926  -0.39340   0.00000  Uiso   1.00
O17    O     1.50338  -0.44562  -0.27008   0.00000  Uiso   1.00
O18    O     1.47137  -0.50926  -0.61805   0.00000  Uiso   1.00
O19    O     1.50338  -0.44562  -0.74136   0.00000  Uiso   1.00
O20    O     1.74186  -0.50926  -0.39340   0.00000  Uiso   1.00
O21    O     1.80209  -0.50017  -0.57751   0.00000  Uiso   1.00
O22    O     1.41113  -0.50017  -0.43393   0.00000  Uiso   1.00
O23    O     1.28933  -0.39750  -0.32426   0.00000  Uiso   1.00
O24    O     1.41113  -0.50017  -0.57751   0.00000  Uiso   1.00
O25    O     1.28933  -0.39750  -0.68719   0.00000  Uiso   1.00
O26    O     1.80209  -0.50017  -0.43393   0.00000  Uiso   1.00
U1     U     1.70549  -0.50566  -0.50572   0.00000  Uiso   1.00
U2     U     1.50774  -0.50566  -0.50572   0.00000  Uiso   1.00
U3     U     1.40033  -0.44050  -0.33202   0.00000  Uiso   1.00
U4     U     1.40033  -0.44050  -0.67942   0.00000  Uiso   1.00
H1     H     1.75212  -0.55150  -0.64245   0.00000  Uiso   1.00
H2     H     1.81926  -0.45659  -0.59457   0.00000  Uiso   1.00
H3     H     1.82856  -0.54068  -0.42191   0.00000  Uiso   1.00
H4     H     1.74312  -0.46915  -0.36380   0.00000  Uiso   1.00
H5     H     1.25319  -0.42462  -0.30335   0.00000  Uiso   1.00
H6     H     1.28696  -0.39264  -0.42124   0.00000  Uiso   1.00
H7     H     1.26140  -0.46596  -0.62412   0.00000  Uiso   1.00
H8     H     1.27968  -0.35059  -0.67350   0.00000  Uiso   1.00
H9     H     1.60680  -0.55123  -0.40955   0.00000  Uiso   1.00
H10    H     1.60632  -0.55137  -0.60167   0.00000  Uiso   1.00
H11    H     1.50290  -0.48889  -0.76468   0.00000  Uiso   1.00
H12    H     1.35098  -0.39388  -0.80636   0.00000  Uiso   1.00
H13    H     1.37169  -0.41042  -0.19543   0.00000  Uiso   1.00
H14    H     1.48288  -0.41570  -0.23642   0.00000  Uiso   1.00
H15    H     1.49936  -0.46638  -0.62186   0.00000  Uiso   1.00
H16    H     1.49908  -0.46629  -0.39194   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      0.995   .     S
O2     O23     1.489   .     S
O5     H7      0.996   .     S
O5     O25     1.489   .     S
O11    H13     0.982   .     S
O12    H12     0.984   .     S
O13    H9      0.984   .     S
O14    H10     0.984   .     S
O15    H1      0.997   .     S
O15    O21     1.463   .     S
O16    H16     1.023   .     S
O16    O22     1.463   .     S
O17    H14     0.990   .     S
O18    H15     1.027   .     S
O18    O24     1.463   .     S
O19    H11     0.983   .     S
O20    H4      0.997   .     S
O20    O26     1.463   .     S
O21    H2      0.997   .     S
O23    H5      0.996   .     S
O25    H8      0.996   .     S
O26    H3      0.997   .     S
