data_[Nd24In8Au8]
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 [C2/c]
_cell_length_a [17.3936]
_cell_length_b [7.0053]
_cell_length_c [11.6784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9606]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd3InAu]
_chemical_formula_sum '[Nd24 In8 Au8]'
_cell_volume [1220.2329]
_cell_formula_units_Z [8]
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  0.0625  0.2021  0.9525  1
  Nd  Nd1  8  0.1194  0.4861  0.2645  1
  Nd  Nd2  8  0.1906  0.0151  0.2845  1
  In  In3  8  0.1165  0.2710  0.5163  1
  Au  Au4  4  0.0000  0.1316  0.2500  1
  Au  Au5  4  0.2500  0.2500  0.0000  1
]