data_InBiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   126.79
_cell_angle_beta   119.16
_cell_angle_gamma   85.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InBiPt2
_chemical_formula_sum   'In1 Bi1 Pt2'
_cell_volume   81.95
_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
  In  In1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.66  1.0
  Pt  Pt2  1  0.0  0.52  1.0  1.0
  Pt  Pt3  1  0.22  0.0  0.67  1.0

data_InBiPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   60.84
_cell_angle_beta   63.4
_cell_angle_gamma   63.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InBiPt2
_chemical_formula_sum   'In1 Bi1 Pt2'
_cell_volume   81.95
_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
  In  In0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.0  0.66  1.0
  Pt  Pt2  1  0.0  0.78  0.67  1.0
  Pt  Pt3  1  0.52  0.0  0.48  1.0

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