data_[Fe2Au2Br4]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.4280]
_cell_length_b [3.3269]
_cell_length_c [7.4564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4714]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [FeAuBr2]
_chemical_formula_sum '[Fe2 Au2 Br4]'
_cell_volume [229.5156]
_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  0.0116  0.5000  0.3914  1
  Au  Au1  2  0.2956  0.5000  0.3075  1
  Br  Br2  2  0.0389  0.0000  0.1373  1
  Br  Br3  2  0.1539  0.0000  0.6637  1
]