# generated using pymatgen
data_Cu3BiSe2BrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44740500
_cell_length_b   7.36530800
_cell_length_c   9.78638100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3BiSe2BrO8
_chemical_formula_sum   'Cu6 Bi2 Se4 Br2 O16'
_cell_volume   464.72708440
_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  0.75000000  0.00000000  0.25000000  1.0
  Cu  Cu2  1  0.25000000  0.00000000  0.25000000  1.0
  Cu  Cu3  1  0.50000000  0.79320400  0.50000000  1.0
  Cu  Cu4  1  0.00000000  0.20679600  0.00000000  1.0
  Cu  Cu5  1  0.25000000  0.00000000  0.75000000  1.0
  Bi  Bi6  1  0.00000000  0.75510100  0.00000000  1.0
  Bi  Bi7  1  0.50000000  0.24489900  0.50000000  1.0
  Se  Se8  1  0.50000000  0.61101900  0.19308000  1.0
  Se  Se9  1  0.00000000  0.38898100  0.69308000  1.0
  Se  Se10  1  0.50000000  0.61101900  0.80692000  1.0
  Se  Se11  1  0.00000000  0.38898100  0.30692000  1.0
  Br  Br12  1  0.00000000  0.84150800  0.50000000  1.0
  Br  Br13  1  0.50000000  0.15849200  0.00000000  1.0
  O  O14  1  0.00000000  0.01000800  0.86397000  1.0
  O  O15  1  0.50000000  0.98999200  0.36397000  1.0
  O  O16  1  0.00000000  0.41137400  0.86731500  1.0
  O  O17  1  0.28879000  0.75583200  0.16562800  1.0
  O  O18  1  0.21121000  0.24416800  0.66562800  1.0
  O  O19  1  0.50000000  0.58862600  0.36731500  1.0
  O  O20  1  0.78879000  0.24416800  0.33437200  1.0
  O  O21  1  0.78879000  0.24416800  0.66562800  1.0
  O  O22  1  0.00000000  0.41137400  0.13268500  1.0
  O  O23  1  0.50000000  0.58862600  0.63268500  1.0
  O  O24  1  0.71121000  0.75583200  0.83437200  1.0
  O  O25  1  0.21121000  0.24416800  0.33437200  1.0
  O  O26  1  0.50000000  0.98999200  0.63603000  1.0
  O  O27  1  0.00000000  0.01000800  0.13603000  1.0
  O  O28  1  0.71121000  0.75583200  0.16562800  1.0
  O  O29  1  0.28879000  0.75583200  0.83437200  1.0