data_BiSbPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   3.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiSbPt2
_chemical_formula_sum   'Bi1 Sb1 Pt2'
_cell_volume   83.64
_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  0.39  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.7  0.24  0.75  1.0
  Pt  Pt2  1  0.7  0.76  0.75  1.0

data_BiSbPt2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.5
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BiSbPt2
_chemical_formula_sum   'Bi1 Sb1 Pt2'
_cell_volume   83.7
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.39  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.75  0.24  0.7  1.0

Bi Sb Pt Pt
Bi Sb Pt Pt 0 1 o o o 0 3 o - - 0 2 o o - 1 3 - - - 1 2 - o - 2 3 o - o 