data_[Rb2Fe4Au2Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [C2/m]
_cell_length_a [14.2097]
_cell_length_b [7.3789]
_cell_length_c [9.0521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2785]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbFe2AuBr8]
_chemical_formula_sum '[Rb2 Fe4 Au2 Br16]'
_cell_volume [871.8565]
_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
[
  Rb  Rb0  2  0.0000  0.5000  0.5000  1.0
  Fe  Fe1  4  0.1902  0.5000  0.1668  1.0
  Au  Au2  2  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.1059  0.2459  0.2273  1.0
  Br  Br4  4  0.1379  0.0000  0.6533  1.0
  Br  Br5  4  0.1760  0.5000  0.9025  1.0
]