data_[Nd4Si3Au1]
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 [Pm]
_cell_length_a [5.9862]
_cell_length_b [4.0866]
_cell_length_c [8.1609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5286]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Nd4Si3Au]
_chemical_formula_sum '[Nd4 Si3 Au1]'
_cell_volume [199.6343]
_cell_formula_units_Z [1]
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  1  0.1184  0.5000  0.3211  1
  Nd  Nd1  1  0.3839  0.5000  0.8211  1
  Nd  Nd2  1  0.6210  0.0000  0.1800  1
  Nd  Nd3  1  0.8839  0.0000  0.6754  1
  Si  Si4  1  0.1203  0.0000  0.0343  1
  Si  Si5  1  0.3625  0.0000  0.5396  1
  Si  Si6  1  0.8827  0.5000  0.9634  1
  Au  Au7  1  0.6272  0.5000  0.4651  1
]