data_In2GePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.15
_cell_angle_alpha   106.99
_cell_angle_beta   106.99
_cell_angle_gamma   31.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2GePt
_chemical_formula_sum   'In2 Ge1 Pt1'
_cell_volume   83.99
_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  0.08  0.0  0.15  1.0
  In  In2  1  0.33  0.0  0.39  1.0
  Ge  Ge0  1  0.38  0.0  0.22  1.0
  Pt  Pt3  1  0.45  0.0  0.6  1.0

data_In2GePt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   5.15
_cell_length_c   5.74
_cell_angle_alpha   106.99
_cell_angle_beta   105.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2GePt
_chemical_formula_sum   'In2 Ge1 Pt1'
_cell_volume   83.99
_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  0.15  0.08  1.0
  In  In1  1  0.0  0.39  0.33  1.0
  Ge  Ge2  1  0.0  0.22  0.38  1.0
  Pt  Pt3  1  0.0  0.6  0.45  1.0

In In Ge Pt