data_CoRh2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   3.82
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   91.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoRh2Au
_chemical_formula_sum   'Co1 Rh2 Au1'
_cell_volume   58.04
_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
  Co  Co1  1  0.3  0.0  0.26  1.0
  Rh  Rh2  1  0.61  0.91  0.52  1.0
  Rh  Rh3  1  0.34  0.0  0.28  1.0
  Au  Au0  1  0.95  0.91  0.82  1.0

data_CoRh2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   3.82
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   91.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoRh2Au
_chemical_formula_sum   'Co1 Rh2 Au1'
_cell_volume   58.04
_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
  Co  Co0  1  0.3  0.0  0.26  1.0
  Rh  Rh1  1  0.34  0.0  0.28  1.0
  Rh  Rh2  1  0.61  0.91  0.52  1.0
  Au  Au3  1  0.95  0.91  0.82  1.0

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