data_GePt2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78
_cell_length_b   4.07
_cell_length_c   4.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GePt2Au
_chemical_formula_sum   'Ge1 Pt2 Au1'
_cell_volume   66.26
_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
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.03  0.16  1.0
  Pt  Pt3  1  0.89  0.03  0.0  1.0
  Au  Au0  1  0.89  0.0  0.16  1.0

data_GePt2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   4.07
_cell_length_c   4.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GePt2Au
_chemical_formula_sum   'Ge1 Pt2 Au1'
_cell_volume   66.26
_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
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.03  0.16  1.0
  Pt  Pt2  1  0.89  0.03  -0.0  1.0
  Au  Au3  1  0.89  0.0  0.16  1.0

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