# generated using pymatgen
data_Ca3Cu2(ClO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.17940641
_cell_length_b   11.17940641
_cell_length_c   11.17940641
_cell_angle_alpha   160.02647366
_cell_angle_beta   160.02647366
_cell_angle_gamma   28.39367129
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Cu2(ClO2)2
_chemical_formula_sum   'Ca3 Cu2 Cl2 O4'
_cell_volume   162.94734090
_cell_formula_units_Z   1
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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca1  1  0.14707700  0.14707700  0.00000000  1.0
  Ca  Ca2  1  0.85292300  0.85292300  0.00000000  1.0
  Cu  Cu3  1  0.42913000  0.42913000  0.00000000  1.0
  Cu  Cu4  1  0.57087000  0.57087000  0.00000000  1.0
  Cl  Cl5  1  0.29851900  0.29851900  0.00000000  1.0
  Cl  Cl6  1  0.70148100  0.70148100  0.00000000  1.0
  O  O7  1  0.42506600  0.92506600  0.50000000  1.0
  O  O8  1  0.92506600  0.42506600  0.50000000  1.0
  O  O9  1  0.07493400  0.57493400  0.50000000  1.0
  O  O10  1  0.57493400  0.07493400  0.50000000  1.0