data_[Fe2Si4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.7171]
_cell_length_b [3.4554]
_cell_length_c [4.4865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3086]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [FeSi2Au]
_chemical_formula_sum '[Fe2 Si4 Au2]'
_cell_volume [114.2165]
_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
[
  Fe  Fe0  2  0.2684  0.0000  0.8918  1
  Si  Si1  2  0.2467  0.5000  0.2219  1
  Si  Si2  2  0.4740  0.5000  0.8959  1
  Au  Au3  2  0.0108  0.5000  0.4904  1
]