# generated using pymatgen
data_Cu2ClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79980906
_cell_length_b   5.79980906
_cell_length_c   5.79980986
_cell_angle_alpha   65.97685459
_cell_angle_beta   65.97685459
_cell_angle_gamma   65.97685744
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2ClO3
_chemical_formula_sum   'Cu4 Cl2 O6'
_cell_volume   155.79818780
_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  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu1  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu2  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu3  1  0.00000000  0.50000000  0.50000000  1.0
  Cl  Cl4  1  0.80655800  0.80655800  0.80655800  1.0
  Cl  Cl5  1  0.19344200  0.19344200  0.19344200  1.0
  O  O6  1  0.73328100  0.33379600  0.73328100  1.0
  O  O7  1  0.73328100  0.73328100  0.33379600  1.0
  O  O8  1  0.33379600  0.73328100  0.73328100  1.0
  O  O9  1  0.26671900  0.66620400  0.26671900  1.0
  O  O10  1  0.26671900  0.26671900  0.66620400  1.0
  O  O11  1  0.66620400  0.26671900  0.26671900  1.0