# generated using pymatgen
data_CuBiSeO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94971300
_cell_length_b   3.94971300
_cell_length_c   9.06750500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuBiSeO
_chemical_formula_sum   'Cu2 Bi2 Se2 O2'
_cell_volume   141.45518876
_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  0.00000000  0.50000000  1.0
  Cu  Cu1  1  0.50000000  0.50000000  0.50000000  1.0
  Bi  Bi2  1  0.00000000  0.50000000  0.86017900  1.0
  Bi  Bi3  1  0.50000000  0.00000000  0.13982100  1.0
  Se  Se4  1  0.50000000  0.00000000  0.67282400  1.0
  Se  Se5  1  0.00000000  0.50000000  0.32717600  1.0
  O  O6  1  0.50000000  0.50000000  0.00000000  1.0
  O  O7  1  0.00000000  0.00000000  0.00000000  1.0