data_[Nd6Sn4Au14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3763]
_cell_length_b [4.3763]
_cell_length_c [29.6855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Nd3Sn2Au7]
_chemical_formula_sum '[Nd6 Sn4 Au14]'
_cell_volume [568.5415]
_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  0.0000  0.0000  0.3275  1
  Nd  Nd1  2  0.0000  0.0000  0.5000  1
  Sn  Sn2  4  0.0000  0.0000  0.1340  1
  Au  Au3  8  0.0000  0.5000  0.0746  1
  Au  Au4  4  0.0000  0.0000  0.2273  1
  Au  Au5  2  0.0000  0.0000  0.0000  1
]