data_[Fe4Au4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.1974]
_cell_length_b [3.2384]
_cell_length_c [11.0435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2832]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [FeAuO]
_chemical_formula_sum '[Fe4 Au4 O4]'
_cell_volume [184.3753]
_cell_formula_units_Z [4]
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  0.1703  0.0000  0.5635  1
  Fe  Fe1  2  0.4050  0.5000  0.8337  1
  Au  Au2  2  0.2331  0.5000  0.2453  1
  Au  Au3  2  0.3268  0.0000  0.0345  1
  O  O4  2  0.2418  0.0000  0.7418  1
  O  O5  2  0.3046  0.5000  0.5031  1
]