data_InGePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   5.05
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   96.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGePt2
_chemical_formula_sum   'In1 Ge1 Pt2'
_cell_volume   71.53
_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  0.12  0.53  1.0  1.0
  Ge  Ge0  1  0.8  0.0  0.72  1.0
  Pt  Pt2  1  0.18  0.0  0.15  1.0
  Pt  Pt3  1  0.48  0.53  0.36  1.0

data_InGePt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.85
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGePt2
_chemical_formula_sum   'In1 Ge1 Pt2'
_cell_volume   71.53
_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  0.88  0.0  0.47  1.0
  Ge  Ge1  1  0.2  0.28  0.0  1.0
  Pt  Pt2  1  0.52  0.64  0.47  1.0
  Pt  Pt3  1  0.82  0.85  0.0  1.0

In Ge Pt Pt