data_[Ta2Fe2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Fe  1.8300  1.4000  0.8525
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2548]
_cell_length_b [2.9113]
_cell_length_c [4.9960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9866]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaFeAu2]
_chemical_formula_sum '[Ta2 Fe2 Au4]'
_cell_volume [132.1447]
_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
[
  Ta  Ta0  2  0.2574  0.5000  0.2580  1
  Fe  Fe1  2  0.4960  0.0000  0.4941  1
  Au  Au2  2  0.0035  0.0000  0.0104  1
  Au  Au3  2  0.2431  0.0000  0.7375  1
]