data_NiRhAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.82
_cell_angle_alpha   102.68
_cell_angle_beta   102.68
_cell_angle_gamma   33.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiRhAu2
_chemical_formula_sum   'Ni1 Rh1 Au2'
_cell_volume   61.29
_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
  Ni  Ni2  1  0.03  0.0  0.29  1.0
  Rh  Rh3  1  0.81  0.0  0.24  1.0
  Au  Au0  1  0.04  0.0  0.04  1.0
  Au  Au1  1  0.41  0.0  0.47  1.0

data_NiRhAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.82
_cell_length_c   4.86
_cell_angle_alpha   102.68
_cell_angle_beta   106.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiRhAu2
_chemical_formula_sum   'Ni1 Rh1 Au2'
_cell_volume   61.29
_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
  Ni  Ni0  1  0.0  0.29  0.03  1.0
  Rh  Rh1  1  0.0  0.24  0.81  1.0
  Au  Au2  1  0.0  0.04  0.04  1.0
  Au  Au3  1  0.0  0.47  0.41  1.0

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