data_BiPSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   4.37
_cell_angle_alpha   106.55
_cell_angle_beta   106.55
_cell_angle_gamma   113.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPSe2
_chemical_formula_sum   'Bi1 P1 Se2'
_cell_volume   95.36
_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  0.89  0.0  0.0  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.31  0.2  0.87  1.0
  Se  Se3  1  0.31  0.8  0.87  1.0

data_BiPSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.37
_cell_length_b   5.14
_cell_length_c   5.27
_cell_angle_alpha   112.11
_cell_angle_beta   106.55
_cell_angle_gamma   105.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPSe2
_chemical_formula_sum   'Bi1 P1 Se2'
_cell_volume   95.36
_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  0.0  0.89  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.07  0.2  0.52  1.0
  Se  Se3  1  0.67  0.8  0.11  1.0

Bi P Se Se