data_BiPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   116.34
_cell_angle_beta   116.34
_cell_angle_gamma   116.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPt3
_chemical_formula_sum   'Bi1 Pt3'
_cell_volume   74.06
_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  0.0  0.0  1.0
  Pt  Pt1  1  0.73  0.69  0.04  1.0
  Pt  Pt2  1  0.27  0.69  0.04  1.0
  Pt  Pt3  1  0.0  0.62  0.04  1.0

data_BiPt3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   116.34
_cell_angle_beta   101.17
_cell_angle_gamma   101.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPt3
_chemical_formula_sum   'Bi1 Pt3'
_cell_volume   74.06
_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  0.0  0.0  1.0
  Pt  Pt1  1  0.04  0.31  0.35  1.0
  Pt  Pt2  1  0.04  0.76  0.35  1.0
  Pt  Pt3  1  0.04  0.04  0.41  1.0

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