data_[Nd22In18Au8]
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 [Cmmm]
_cell_length_a [15.0836]
_cell_length_b [22.7768]
_cell_length_c [3.8654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Nd11In9Au4]
_chemical_formula_sum '[Nd22 In18 Au8]'
_cell_volume [1328.0004]
_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  8  0.2380  0.1735  0.0000  1
  Nd  Nd1  4  0.0000  0.1628  0.0000  1
  Nd  Nd2  4  0.0000  0.3698  0.0000  1
  Nd  Nd3  4  0.1970  0.5000  0.0000  1
  Nd  Nd4  2  0.0000  0.0000  0.0000  1
  In  In5  8  0.1041  0.2632  0.5000  1
  In  In6  8  0.1420  0.0722  0.5000  1
  In  In7  2  0.0000  0.5000  0.5000  1
  Au  Au8  8  0.1522  0.3998  0.5000  1
]