data_[Fe4Co2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Co  1.8800  1.3500  0.7683
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.6136]
_cell_length_b [2.7446]
_cell_length_c [4.6112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4105]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Fe2CoAu]
_chemical_formula_sum '[Fe4 Co2 Au2]'
_cell_volume [106.8571]
_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  0.2454  0.5000  0.2319  1
  Fe  Fe1  2  0.4970  0.5000  0.9905  1
  Co  Co2  2  0.2561  0.0000  0.7798  1
  Au  Au3  2  0.0015  0.5000  0.4978  1
]