data_TiGePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   2.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGePt2
_chemical_formula_sum   'Ti1 Ge1 Pt2'
_cell_volume   63.39
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.76  0.0  0.0  1.0
  Pt  Pt1  1  0.38  0.03  0.46  1.0
  Pt  Pt2  1  0.38  0.97  0.46  1.0

data_TiGePt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   110.04
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGePt2
_chemical_formula_sum   'Ti1 Ge1 Pt2'
_cell_volume   63.39
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.76  0.0  1.0
  Pt  Pt2  1  0.46  0.38  0.03  1.0
  Pt  Pt3  1  0.46  0.38  0.97  1.0

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