data_BiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.38
_cell_length_b   4.22
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPt
_chemical_formula_sum   'Bi4 Pt4'
_cell_volume   178.97
_cell_formula_units_Z   4
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  0.32  0.16  0.03  1.0
  Bi  Bi1  1  0.37  0.05  0.15  1.0
  Bi  Bi2  1  0.01  0.16  0.59  1.0
  Bi  Bi3  1  0.07  0.05  0.72  1.0
  Pt  Pt4  1  0.29  0.16  0.95  1.0
  Pt  Pt5  1  0.4  0.05  0.83  1.0
  Pt  Pt6  1  0.98  0.16  0.92  1.0
  Pt  Pt7  1  0.1  0.05  0.79  1.0

data_BiPt
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.22
_cell_length_b   5.75
_cell_length_c   7.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BiPt
_chemical_formula_sum   'Bi4 Pt4'
_cell_volume   178.97
_cell_formula_units_Z   4
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  2  0.05  0.22  0.82  1.0
  Bi  Bi1  2  0.05  0.65  0.13  1.0
  Pt  Pt2  2  0.05  0.55  0.79  1.0
  Pt  Pt3  2  0.05  0.58  0.1  1.0

Bi Bi Bi Bi Pt Pt Pt Pt
Bi Bi Bi Bi Pt Pt Pt Pt 0 4 o o - 0 1 o o o 0 5 o o - 2 3 o o o 3 7 o o o 3 6 - o o 4 5 o o o 6 7 + o o 