# generated using pymatgen
data_Ba2Cu3(ClO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56004000
_cell_length_b   5.56004000
_cell_length_c   8.20800718
_cell_angle_alpha   109.79745319
_cell_angle_beta   109.79745319
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Cu3(ClO2)2
_chemical_formula_sum   'Ba2 Cu3 Cl2 O4'
_cell_volume   222.74070087
_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
  Ba  Ba0  1  0.63840100  0.63840100  0.27680200  1.0
  Ba  Ba1  1  0.36159900  0.36159900  0.72319800  1.0
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu3  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu4  1  0.50000000  0.00000000  0.00000000  1.0
  Cl  Cl5  1  0.75000000  0.25000000  0.50000000  1.0
  Cl  Cl6  1  0.25000000  0.75000000  0.50000000  1.0
  O  O7  1  0.75565400  0.24434600  0.00000000  1.0
  O  O8  1  0.75565400  0.75565400  0.00000000  1.0
  O  O9  1  0.24434600  0.75565400  0.00000000  1.0
  O  O10  1  0.24434600  0.24434600  0.00000000  1.0