data_Bi2SbPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   5.64
_cell_length_c   6.65
_cell_angle_alpha   90.0
_cell_angle_beta   99.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2SbPb
_chemical_formula_sum   'Bi2 Sb1 Pb1'
_cell_volume   125.03
_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  0.66  0.82  0.64  1.0
  Bi  Bi1  1  0.62  0.82  0.92  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.14  0.0  0.28  1.0

data_Bi2SbPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   5.64
_cell_length_c   6.65
_cell_angle_alpha   90.0
_cell_angle_beta   99.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2SbPb
_chemical_formula_sum   'Bi2 Sb1 Pb1'
_cell_volume   125.03
_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  0.62  0.82  0.92  1.0
  Bi  Bi1  1  0.66  0.82  0.64  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.14  0.0  0.28  1.0

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