data_ZrRh2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47
_cell_length_b   3.47
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrRh2Au
_chemical_formula_sum   'Zr1 Rh2 Au1'
_cell_volume   68.41
_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
  Zr  Zr3  1  0.0  0.0  0.71  1.0
  Rh  Rh1  1  0.0  0.0  0.05  1.0
  Rh  Rh2  1  0.73  0.73  0.43  1.0
  Au  Au0  1  0.73  0.73  0.33  1.0

data_ZrRh2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrRh2Au
_chemical_formula_sum   'Zr2 Rh4 Au2'
_cell_volume   136.82
_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
  Zr  Zr0  2  0.0  0.0  0.71  1.0
  Rh  Rh1  2  0.0  0.0  0.05  1.0
  Rh  Rh2  2  0.23  0.5  0.43  1.0
  Au  Au3  2  0.23  0.5  0.33  1.0

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