data_BiPSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   143.44
_cell_angle_beta   133.11
_cell_angle_gamma   60.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPSe2
_chemical_formula_sum   'Bi1 P1 Se2'
_cell_volume   98.79
_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  0.28  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.92  0.0  0.81  1.0
  Se  Se3  1  0.0  0.44  0.47  1.0

data_BiPSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   4.87
_cell_length_c   6.12
_cell_angle_alpha   113.45
_cell_angle_beta   108.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPSe2
_chemical_formula_sum   'Bi1 P1 Se2'
_cell_volume   98.79
_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  0.72  0.72  0.72  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.11  0.19  0.11  1.0
  Se  Se3  1  0.53  0.97  0.97  1.0

Bi P Se Se