data_PPbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61
_cell_length_b   7.44
_cell_length_c   3.12
_cell_angle_alpha   81.0
_cell_angle_beta   75.11
_cell_angle_gamma   23.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PPbSe
_chemical_formula_sum   'P1 Pb1 Se1'
_cell_volume   67.67
_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
  P  P0  1  0.91  0.47  0.02  1.0
  Pb  Pb1  1  0.91  0.47  0.44  1.0
  Se  Se2  1  0.91  0.47  0.93  1.0

data_PPbSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.81
_cell_length_b   14.39
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   127.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   PPbSe
_chemical_formula_sum   'P2 Pb2 Se2'
_cell_volume   135.34
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  P  P0  2  0.41  0.5  0.92  1.0
  Pb  Pb1  2  0.41  0.5  0.35  1.0
  Se  Se2  2  0.41  0.5  0.83  1.0

P Pb Se