# generated using pymatgen
data_CuBiSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79579205
_cell_length_b   6.79579205
_cell_length_c   6.79579190
_cell_angle_alpha   34.77811224
_cell_angle_beta   34.77811224
_cell_angle_gamma   34.77810592
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuBiSe2
_chemical_formula_sum   'Cu1 Bi1 Se2'
_cell_volume   91.13983123
_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
  Cu  Cu0  1  0.50000000  0.50000000  0.50000000  1.0
  Bi  Bi1  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se2  1  0.23781100  0.23781100  0.23781100  1.0
  Se  Se3  1  0.76218900  0.76218900  0.76218900  1.0