data_[Cs2Cr2Fe4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0231]
_cell_length_b [7.3482]
_cell_length_c [10.3971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsCr(FeBr4)2]
_chemical_formula_sum '[Cs2 Cr2 Fe4 Br16]'
_cell_volume [834.8609]
_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
[
  Cs  Cs0  2  0.0000  0.0000  0.5000  1.0
  Cr  Cr1  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  4  0.1187  0.5000  0.8075  1.0
  Br  Br3  8  0.0217  0.2409  0.1789  1.0
  Br  Br4  4  0.1787  0.5000  0.5978  1.0
  Br  Br5  4  0.2274  0.0000  0.9966  1.0
]