data_[Nd4In12Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.2559]
_cell_length_b [4.6112]
_cell_length_c [11.8672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NdIn3Au]
_chemical_formula_sum '[Nd4 In12 Au4]'
_cell_volume [506.5056]
_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  0.1952  0.2500  0.9939  1.0
  In  In1  4  0.0690  0.2500  0.4055  1.0
  In  In2  4  0.1004  0.7500  0.1799  1.0
  In  In3  4  0.1354  0.7500  0.7960  1.0
  Au  Au4  4  0.1029  0.2500  0.6424  1.0
]