# generated using pymatgen
data_CuHOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34728165
_cell_length_b   5.04098281
_cell_length_c   5.28287025
_cell_angle_alpha   66.43850753
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuHOF
_chemical_formula_sum   'Cu4 H4 O4 F4'
_cell_volume   154.94149804
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cu  Cu0  1  0.37913924  0.01130628  0.75742766  1.0
  Cu  Cu1  1  0.87913924  0.98869372  0.74257234  1.0
  Cu  Cu2  1  0.62086076  0.98869372  0.24257234  1.0
  Cu  Cu3  1  0.12086076  0.01130628  0.25742766  1.0
  H  H4  1  0.13701465  0.61016146  0.74969618  1.0
  H  H5  1  0.63701465  0.38983854  0.75030382  1.0
  H  H6  1  0.86298535  0.38983854  0.25030382  1.0
  H  H7  1  0.36298535  0.61016146  0.24969618  1.0
  O  O8  1  0.36157397  0.82550593  0.16350130  1.0
  O  O9  1  0.86157397  0.17449407  0.33649870  1.0
  O  O10  1  0.63842603  0.17449407  0.83649870  1.0
  O  O11  1  0.13842603  0.82550593  0.66350130  1.0
  F  F12  1  0.38699071  0.27277599  0.36982793  1.0
  F  F13  1  0.88699071  0.72722401  0.13017207  1.0
  F  F14  1  0.61300929  0.72722401  0.63017207  1.0
  F  F15  1  0.11300929  0.27277599  0.86982793  1.0