data_[Nd6Rh4Au6]
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 [C2/m]
_cell_length_a [18.1136]
_cell_length_b [4.0450]
_cell_length_c [5.0691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3Rh2Au3]
_chemical_formula_sum '[Nd6 Rh4 Au6]'
_cell_volume [367.3913]
_cell_formula_units_Z [2]
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  0.1559  0.0000  0.5806  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Rh  Rh2  4  0.2370  0.0000  0.1553  1
  Au  Au3  4  0.1281  0.5000  0.0702  1
  Au  Au4  2  0.0000  0.5000  0.5000  1
]