data_NbRhAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   4.23
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRhAu2
_chemical_formula_sum   'Nb1 Rh1 Au2'
_cell_volume   67.07
_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
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.0  0.71  1.0
  Au  Au0  1  0.46  0.11  0.06  1.0
  Au  Au1  1  0.46  0.11  0.36  1.0

data_NbRhAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.23
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRhAu2
_chemical_formula_sum   'Nb1 Rh1 Au2'
_cell_volume   67.07
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.0  0.0  0.71  1.0
  Au  Au2  1  0.46  0.11  0.06  1.0
  Au  Au3  1  0.46  0.11  0.36  1.0

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