data_GeRh2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   4.58
_cell_angle_alpha   110.36
_cell_angle_beta   110.36
_cell_angle_gamma   32.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeRh2Au
_chemical_formula_sum   'Ge1 Rh2 Au1'
_cell_volume   62.2
_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  0.19  0.0  0.49  1.0
  Rh  Rh2  1  0.12  0.0  1.0  1.0
  Rh  Rh3  1  1.0  0.0  0.19  1.0
  Au  Au0  1  0.34  0.0  0.0  1.0

data_GeRh2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.58
_cell_length_c   5.17
_cell_angle_alpha   110.36
_cell_angle_beta   106.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeRh2Au
_chemical_formula_sum   'Ge1 Rh2 Au1'
_cell_volume   62.2
_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  0.49  0.19  1.0
  Rh  Rh1  1  0.0  0.19  1.0  1.0
  Rh  Rh2  1  0.0  1.0  0.12  1.0
  Au  Au3  1  0.0  0.0  0.34  1.0

Ge Rh Rh Au
Ge Rh Rh Au 0 2 - o o 1 2 - o + 1 3 o o + 