data_BiSbPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   6.16
_cell_angle_alpha   132.92
_cell_angle_beta   132.92
_cell_angle_gamma   68.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiSbPb2
_chemical_formula_sum   'Bi1 Sb1 Pb2'
_cell_volume   123.29
_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  0.46  0.0  0.54  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.09  1.0
  Pb  Pb2  1  0.0  0.46  0.54  1.0

data_BiSbPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   6.16
_cell_angle_alpha   113.54
_cell_angle_beta   113.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiSbPb2
_chemical_formula_sum   'Bi1 Sb1 Pb2'
_cell_volume   123.29
_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  0.54  0.08  0.08  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.08  0.54  0.08  1.0
  Pb  Pb3  1  0.09  0.09  0.09  1.0

Bi Sb Pb Pb
Bi Sb Pb Pb 0 2 o o o 0 2 + o + 0 1 o o o 0 1 + o + 1 2 o o o 1 3 o - - 1 3 o o o 2 3 o - - 2 3 o o o 