data_SbPb2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   4.7
_cell_angle_alpha   90.14
_cell_angle_beta   90.14
_cell_angle_gamma   36.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPb2Se
_chemical_formula_sum   'Sb1 Pb2 Se1'
_cell_volume   121.84
_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  Sb2  1  0.52  0.0  0.97  1.0
  Pb  Pb0  1  0.32  0.0  0.62  1.0
  Pb  Pb1  1  0.16  0.0  0.86  1.0
  Se  Se3  1  0.52  0.0  0.6  1.0

data_SbPb2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.7
_cell_length_c   6.63
_cell_angle_alpha   90.14
_cell_angle_beta   108.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPb2Se
_chemical_formula_sum   'Sb1 Pb2 Se1'
_cell_volume   121.84
_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  0.0  0.97  0.52  1.0
  Pb  Pb1  1  0.0  0.62  0.32  1.0
  Pb  Pb2  1  0.0  0.86  0.16  1.0
  Se  Se3  1  0.0  0.6  0.52  1.0

Sb Pb Pb Se