data_SbPbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   3.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPbSe
_chemical_formula_sum   'Sb1 Pb1 Se1'
_cell_volume   83.09
_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  0.86  0.64  1.0
  Pb  Pb0  1  0.48  0.43  0.82  1.0
  Se  Se2  1  0.0  0.0  0.34  1.0

data_SbPbSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPbSe
_chemical_formula_sum   'Sb1 Pb1 Se1'
_cell_volume   83.09
_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  0.64  0.0  0.86  1.0
  Pb  Pb1  1  0.82  0.48  0.43  1.0
  Se  Se2  1  0.34  0.0  0.0  1.0

Sb Pb Se
Sb Pb Se 0 2 o + o 0 1 o + o 0 1 - o o 1 2 o o o 1 2 o o + 