# generated using pymatgen
data_Cu2H3ClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17330000
_cell_length_b   5.74176400
_cell_length_c   5.80105846
_cell_angle_alpha   89.40057715
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2H3ClO3
_chemical_formula_sum   'Cu4 H6 Cl2 O6'
_cell_volume   205.61092908
_cell_formula_units_Z   2
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  0.25000000  0.52707300  0.00754500  1.0
  Cu  Cu1  1  0.00000000  0.50000000  0.50000000  1.0
  Cu  Cu2  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu3  1  0.75000000  0.47292700  0.99245500  1.0
  H  H4  1  0.95962200  0.80208400  0.80992600  1.0
  H  H5  1  0.25000000  0.17383700  0.53404900  1.0
  H  H6  1  0.75000000  0.82616300  0.46595100  1.0
  H  H7  1  0.54037800  0.80208400  0.80992600  1.0
  H  H8  1  0.04037800  0.19791600  0.19007400  1.0
  H  H9  1  0.45962200  0.19791600  0.19007400  1.0
  Cl  Cl10  1  0.75000000  0.10882800  0.72054100  1.0
  Cl  Cl11  1  0.25000000  0.89117200  0.27945900  1.0
  O  O12  1  0.49322900  0.36704600  0.18462300  1.0
  O  O13  1  0.75000000  0.66947400  0.39668100  1.0
  O  O14  1  0.25000000  0.33052600  0.60331900  1.0
  O  O15  1  0.50677100  0.63295400  0.81537700  1.0
  O  O16  1  0.99322900  0.63295400  0.81537700  1.0
  O  O17  1  0.00677100  0.36704600  0.18462300  1.0