# generated using pymatgen
data_CuHClO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82727500
_cell_length_b   5.67381300
_cell_length_c   6.00858545
_cell_angle_alpha   65.62407301
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuHClO
_chemical_formula_sum   'Cu4 H4 Cl4 O4'
_cell_volume   212.00442541
_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  0.62147000  0.22924100  0.01138200  1.0
  Cu  Cu1  1  0.12147000  0.27075900  0.98861800  1.0
  Cu  Cu2  1  0.37853000  0.77075900  0.98861800  1.0
  Cu  Cu3  1  0.87853000  0.72924100  0.01138200  1.0
  H  H4  1  0.64052700  0.00596800  0.69865300  1.0
  H  H5  1  0.14052700  0.49403200  0.30134700  1.0
  H  H6  1  0.35947300  0.99403200  0.30134700  1.0
  H  H7  1  0.85947300  0.50596800  0.69865300  1.0
  Cl  Cl8  1  0.59310200  0.37015300  0.31553400  1.0
  Cl  Cl9  1  0.09310200  0.12984700  0.68446600  1.0
  Cl  Cl10  1  0.40689800  0.62984700  0.68446600  1.0
  Cl  Cl11  1  0.90689800  0.87015300  0.31553400  1.0
  O  O12  1  0.63866200  0.94486700  0.87809900  1.0
  O  O13  1  0.13866200  0.55513300  0.12190100  1.0
  O  O14  1  0.36133800  0.05513300  0.12190100  1.0
  O  O15  1  0.86133800  0.44486700  0.87809900  1.0