# generated using pymatgen
data_Cu3BiSe2ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42135600
_cell_length_b   7.32125000
_cell_length_c   9.75914600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3BiSe2ClO8
_chemical_formula_sum   'Cu6 Bi2 Se4 Cl2 O16'
_cell_volume   458.80041297
_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  0.75000000  0.00000000  0.75000000  1.0
  Cu  Cu1  1  0.25000000  0.00000000  0.75000000  1.0
  Cu  Cu2  1  0.25000000  0.00000000  0.25000000  1.0
  Cu  Cu3  1  0.75000000  0.00000000  0.25000000  1.0
  Cu  Cu4  1  0.50000000  0.79350700  0.50000000  1.0
  Cu  Cu5  1  0.00000000  0.20649300  0.00000000  1.0
  Bi  Bi6  1  0.50000000  0.24761000  0.50000000  1.0
  Bi  Bi7  1  0.00000000  0.75239000  0.00000000  1.0
  Se  Se8  1  0.50000000  0.60894000  0.19281000  1.0
  Se  Se9  1  0.00000000  0.39106000  0.30719000  1.0
  Se  Se10  1  0.50000000  0.60894000  0.80719000  1.0
  Se  Se11  1  0.00000000  0.39106000  0.69281000  1.0
  Cl  Cl12  1  0.50000000  0.15115700  0.00000000  1.0
  Cl  Cl13  1  0.00000000  0.84884300  0.50000000  1.0
  O  O14  1  0.50000000  0.99124200  0.63635700  1.0
  O  O15  1  0.00000000  0.00875800  0.86364300  1.0
  O  O16  1  0.50000000  0.99124200  0.36364300  1.0
  O  O17  1  0.00000000  0.00875800  0.13635700  1.0
  O  O18  1  0.71137500  0.75466200  0.16591600  1.0
  O  O19  1  0.21137500  0.24533800  0.33408400  1.0
  O  O20  1  0.28862500  0.75466200  0.83408400  1.0
  O  O21  1  0.78862500  0.24533800  0.66591600  1.0
  O  O22  1  0.78862500  0.24533800  0.33408400  1.0
  O  O23  1  0.28862500  0.75466200  0.16591600  1.0
  O  O24  1  0.21137500  0.24533800  0.66591600  1.0
  O  O25  1  0.71137500  0.75466200  0.83408400  1.0
  O  O26  1  0.50000000  0.58763600  0.63206500  1.0
  O  O27  1  0.00000000  0.41236400  0.86793500  1.0
  O  O28  1  0.50000000  0.58763600  0.36793500  1.0
  O  O29  1  0.00000000  0.41236400  0.13206500  1.0