data_BiPbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   4.66
_cell_angle_alpha   91.89
_cell_angle_beta   91.89
_cell_angle_gamma   36.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPbSe2
_chemical_formula_sum   'Bi1 Pb1 Se2'
_cell_volume   114.67
_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
  Bi  Bi0  1  0.02  0.0  0.84  1.0
  Pb  Pb1  1  0.04  0.0  0.66  1.0
  Se  Se2  1  0.11  0.0  0.53  1.0
  Se  Se3  1  0.82  0.0  0.96  1.0

data_BiPbSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.66
_cell_length_c   6.41
_cell_angle_alpha   91.89
_cell_angle_beta   108.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPbSe2
_chemical_formula_sum   'Bi1 Pb1 Se2'
_cell_volume   114.67
_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
  Bi  Bi0  1  0.0  0.84  0.02  1.0
  Pb  Pb1  1  0.0  0.66  0.04  1.0
  Se  Se2  1  0.0  0.53  0.11  1.0
  Se  Se3  1  0.0  0.96  0.82  1.0

Bi Pb Se Se