data_[Nd24In4Au8]
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 [Immm]
_cell_length_a [9.9228]
_cell_length_b [10.2618]
_cell_length_c [10.8585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd6InAu2]
_chemical_formula_sum '[Nd24 In4 Au8]'
_cell_volume [1105.6696]
_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  8  0.0000  0.1981  0.2420  1
  Nd  Nd1  8  0.2062  0.5000  0.1736  1
  Nd  Nd2  8  0.2194  0.3188  0.5000  1
  In  In3  2  0.0000  0.0000  0.0000  1
  In  In4  2  0.0000  0.0000  0.5000  1
  Au  Au5  4  0.0000  0.3467  0.0000  1
  Au  Au6  4  0.0000  0.5000  0.3689  1
]