data_[Nd12Rh4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.3951]
_cell_length_b [4.5735]
_cell_length_c [11.0265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Nd3RhAu2]
_chemical_formula_sum '[Nd12 Rh4 Au8]'
_cell_volume [625.0813]
_cell_formula_units_Z [4]
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
[
  Nd  Nd0  4  0.0508  0.2500  0.3784  1
  Nd  Nd1  4  0.1112  0.7500  0.9425  1
  Nd  Nd2  4  0.2420  0.2500  0.7095  1
  Rh  Rh3  4  0.1228  0.2500  0.1314  1
  Au  Au4  4  0.0053  0.2500  0.7975  1
  Au  Au5  4  0.1896  0.7500  0.4934  1
]