data_[Nd2Si4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.2918]
_cell_length_b [4.1793]
_cell_length_c [9.1218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5349]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdSi2Au]
_chemical_formula_sum '[Nd2 Si4 Au2]'
_cell_volume [160.8568]
_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  0.0701  0.2500  0.1919  1.0
  Si  Si1  2  0.1874  0.7500  0.4971  1.0
  Si  Si2  2  0.4780  0.2500  0.9362  1.0
  Au  Au3  2  0.3892  0.2500  0.6617  1.0
]