data_CoRh2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoRh2Au
_chemical_formula_sum   'Co1 Rh2 Au1'
_cell_volume   58.12
_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  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.5  0.0  0.97  1.0
  Rh  Rh3  1  0.5  0.0  0.82  1.0
  Au  Au0  1  0.0  0.0  0.4  1.0

data_CoRh2Au
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.67
_cell_length_b   8.79
_cell_length_c   2.67
_cell_angle_alpha   90.0
_cell_angle_beta   111.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   CoRh2Au
_chemical_formula_sum   'Co1 Rh2 Au1'
_cell_volume   58.12
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.5  0.03  0.0  1.0
  Rh  Rh2  1  0.5  0.18  0.0  1.0
  Au  Au3  1  0.0  0.6  0.0  1.0

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