data_[Nd4Ga4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.0461]
_cell_length_b [5.0350]
_cell_length_c [9.2600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NdGaAu3]
_chemical_formula_sum '[Nd4 Ga4 Au12]'
_cell_volume [421.7639]
_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  0.2372  0.2500  0.0028  1.0
  Ga  Ga1  4  0.1025  0.2500  0.6666  1.0
  Au  Au2  4  0.0786  0.2500  0.3867  1.0
  Au  Au3  4  0.1020  0.7500  0.8523  1.0
  Au  Au4  4  0.1122  0.7500  0.1636  1.0
]