data_[Nd2In4Au4]
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 [P2_1/m]
_cell_length_a [4.7551]
_cell_length_b [4.6368]
_cell_length_c [11.1374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6697]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd(InAu)2]
_chemical_formula_sum '[Nd2 In4 Au4]'
_cell_volume [245.5461]
_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  2  0.2873  0.2500  0.2371  1.0
  In  In1  2  0.1850  0.2500  0.8721  1.0
  In  In2  2  0.2280  0.7500  0.4967  1.0
  Au  Au3  2  0.2848  0.2500  0.6364  1.0
  Au  Au4  2  0.3052  0.7500  0.0007  1.0
]