data_[Nd20Ga8Au4]
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 [I4/mcm]
_cell_length_a [7.6788]
_cell_length_b [7.6788]
_cell_length_c [15.4048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Nd5Ga2Au]
_chemical_formula_sum '[Nd20 Ga8 Au4]'
_cell_volume [908.3318]
_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  16  0.1737  0.3263  0.1476  1
  Nd  Nd1  4  0.0000  0.0000  0.0000  1
  Ga  Ga2  8  0.1177  0.3823  0.5000  1
  Au  Au3  4  0.0000  0.0000  0.2500  1
]