data_[Nd3Si4Au4]
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 [P-1]
_cell_length_a [4.2827]
_cell_length_b [4.2979]
_cell_length_c [12.9808]
_cell_angle_alpha [80.4925]
_cell_angle_beta [80.5615]
_cell_angle_gamma [89.9376]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nd3(SiAu)4]
_chemical_formula_sum '[Nd3 Si4 Au4]'
_cell_volume [232.3802]
_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  2  0.1494  0.6518  0.7059  1.0
  Nd  Nd1  1  0.0000  0.0000  0.0000  1.0
  Si  Si2  2  0.3088  0.8107  0.3832  1.0
  Si  Si3  2  0.4574  0.4538  0.0945  1.0
  Au  Au4  2  0.2474  0.2507  0.5002  1.0
  Au  Au5  2  0.4067  0.9065  0.1897  1.0
]