data_BiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   4.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   139.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPt
_chemical_formula_sum   'Bi2 Pt2'
_cell_volume   89.13
_cell_formula_units_Z   2
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  0.98  0.42  0.11  1.0
  Bi  Bi1  1  0.98  0.58  0.04  1.0
  Pt  Pt2  1  0.98  0.54  0.11  1.0
  Pt  Pt3  1  0.98  0.46  0.04  1.0

data_BiPt
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.97
_cell_length_b   4.14
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   110.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BiPt
_chemical_formula_sum   'Bi2 Pt2'
_cell_volume   89.13
_cell_formula_units_Z   2
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  0.42  0.46  0.42  1.0
  Pt  Pt1  2  0.46  0.54  0.46  1.0

Bi Bi Pt Pt
Bi Bi Pt Pt 0 3 o o o 1 2 o o o 