data_Sb2PbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   131.71
_cell_angle_beta   131.71
_cell_angle_gamma   70.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2PbSe
_chemical_formula_sum   'Sb2 Pb1 Se1'
_cell_volume   108.65
_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
  Sb  Sb1  1  0.0  0.0  0.76  1.0
  Sb  Sb2  1  0.0  0.39  0.38  1.0
  Pb  Pb0  1  0.39  0.0  0.38  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Sb2PbSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   5.84
_cell_angle_alpha   114.14
_cell_angle_beta   114.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2PbSe
_chemical_formula_sum   'Sb2 Pb1 Se1'
_cell_volume   108.65
_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
  Sb  Sb0  1  0.01  0.39  0.01  1.0
  Sb  Sb1  1  0.24  0.0  0.24  1.0
  Pb  Pb2  1  0.62  0.0  0.01  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Sb Sb Pb Se