# generated using pymatgen
data_CuBClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57757000
_cell_length_b   5.57757000
_cell_length_c   5.62980200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuBClO4
_chemical_formula_sum   'Cu2 B2 Cl2 O8'
_cell_volume   175.13912676
_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  0.00000000  0.50000000  0.66242400  1.0
  Cu  Cu1  1  0.50000000  0.00000000  0.33757600  1.0
  B  B2  1  0.50000000  0.50000000  0.50000000  1.0
  B  B3  1  0.00000000  0.00000000  0.50000000  1.0
  Cl  Cl4  1  0.00000000  0.50000000  0.18745500  1.0
  Cl  Cl5  1  0.50000000  0.00000000  0.81254500  1.0
  O  O6  1  0.08852000  0.18189500  0.66694600  1.0
  O  O7  1  0.91148000  0.81810500  0.66694600  1.0
  O  O8  1  0.58852000  0.68189500  0.33305400  1.0
  O  O9  1  0.41148000  0.31810500  0.33305400  1.0
  O  O10  1  0.18189500  0.91148000  0.33305400  1.0
  O  O11  1  0.81810500  0.08852000  0.33305400  1.0
  O  O12  1  0.68189500  0.41148000  0.66694600  1.0
  O  O13  1  0.31810500  0.58852000  0.66694600  1.0