data_[Nd4Ga8Au12]
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 [C2/m]
_cell_length_a [16.1205]
_cell_length_b [4.5930]
_cell_length_c [6.8234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0461]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdGa2Au3]
_chemical_formula_sum '[Nd4 Ga8 Au12]'
_cell_volume [485.5274]
_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  0.1232  0.0000  0.1796  1.0
  Ga  Ga1  4  0.0109  0.5000  0.7997  1.0
  Ga  Ga2  4  0.2273  0.0000  0.6734  1.0
  Au  Au3  4  0.0646  0.0000  0.6944  1.0
  Au  Au4  4  0.1417  0.5000  0.5032  1.0
  Au  Au5  4  0.1897  0.5000  0.9407  1.0
]