data_InGePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.28
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   91.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGePt2
_chemical_formula_sum   'In1 Ge1 Pt2'
_cell_volume   68.86
_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  0.89  0.0  0.3  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.46  0.64  0.09  1.0
  Pt  Pt3  1  0.5  0.64  0.51  1.0

data_InGePt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   3.28
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   91.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGePt2
_chemical_formula_sum   'In1 Ge1 Pt2'
_cell_volume   68.86
_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  0.89  0.0  0.3  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.46  0.64  0.09  1.0
  Pt  Pt3  1  0.5  0.64  0.51  1.0

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