data_InGe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   3.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGe2Pt
_chemical_formula_sum   'In1 Ge2 Pt1'
_cell_volume   78.05
_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
  Ge  Ge0  1  0.38  0.14  0.9  1.0
  Ge  Ge1  1  0.38  0.86  0.9  1.0
  Pt  Pt3  1  0.76  0.0  0.0  1.0

data_InGe2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   106.93
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGe2Pt
_chemical_formula_sum   'In1 Ge2 Pt1'
_cell_volume   78.05
_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
  Ge  Ge1  1  0.9  0.38  0.14  1.0
  Ge  Ge2  1  0.9  0.38  0.86  1.0
  Pt  Pt3  1  0.0  0.76  0.0  1.0

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