data_InPtAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   3.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPtAu2
_chemical_formula_sum   'In1 Pt1 Au2'
_cell_volume   72.6
_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  In2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.88  0.0  0.0  1.0
  Au  Au0  1  0.44  0.31  0.87  1.0
  Au  Au1  1  0.44  0.69  0.87  1.0

data_InPtAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   4.43
_cell_length_c   4.43
_cell_angle_alpha   99.02
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPtAu2
_chemical_formula_sum   'In1 Pt1 Au2'
_cell_volume   72.6
_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
  Pt  Pt1  1  0.0  0.88  0.0  1.0
  Au  Au2  1  0.87  0.44  0.31  1.0
  Au  Au3  1  0.87  0.44  0.69  1.0

In Pt Au Au
In Pt Au Au 0 1 - o o 2 3 o o o 