data_[Nd8In12Au16]
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 [Cmce]
_cell_length_a [6.2466]
_cell_length_b [16.6618]
_cell_length_c [8.1191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Nd2In3Au4]
_chemical_formula_sum '[Nd8 In12 Au16]'
_cell_volume [845.0264]
_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  0.1055  0.5922  1.0
  In  In1  8  0.2500  0.2272  0.2500  1.0
  In  In2  4  0.0000  0.0000  0.0000  1.0
  Au  Au3  8  0.0000  0.1727  0.9639  1.0
  Au  Au4  8  0.2500  0.0568  0.2500  1.0
]