data_BiSbPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   6.09
_cell_angle_alpha   99.44
_cell_angle_beta   99.44
_cell_angle_gamma   33.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiSbPb2
_chemical_formula_sum   'Bi1 Sb1 Pb2'
_cell_volume   124.44
_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  0.35  0.0  1.0  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.16  0.0  0.51  1.0
  Pb  Pb2  1  0.55  0.0  0.49  1.0

data_BiSbPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   6.09
_cell_length_c   6.13
_cell_angle_alpha   99.44
_cell_angle_beta   106.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiSbPb2
_chemical_formula_sum   'Bi1 Sb1 Pb2'
_cell_volume   124.44
_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  0.0  1.0  0.35  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.49  0.55  1.0
  Pb  Pb3  1  0.0  0.51  0.16  1.0

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