data_PtRh2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   8.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtRh2Au
_chemical_formula_sum   'Pt1 Rh2 Au1'
_cell_volume   62.19
_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
  Pt  Pt1  1  0.0  0.0  0.15  1.0
  Rh  Rh2  1  0.39  0.39  0.06  1.0
  Rh  Rh3  1  0.0  0.0  0.85  1.0
  Au  Au0  1  0.39  0.39  0.97  1.0

data_PtRh2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   8.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   PtRh2Au
_chemical_formula_sum   'Pt2 Rh4 Au2'
_cell_volume   124.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Pt  Pt0  2  0.0  0.0  0.15  1.0
  Rh  Rh1  2  0.0  0.0  0.85  1.0
  Rh  Rh2  2  0.39  0.0  0.06  1.0
  Au  Au3  2  0.39  0.0  0.97  1.0

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