data_[Rb2Cr2Fe4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [10.9105]
_cell_length_b [7.4416]
_cell_length_c [9.9050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3548]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbCr(FeBr4)2]
_chemical_formula_sum '[Rb2 Cr2 Fe4 Br16]'
_cell_volume [799.2627]
_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  0.0000  0.5000  1
  Cr  Cr1  2  0.0000  0.0000  0.0000  1
  Fe  Fe2  4  0.1232  0.5000  0.7994  1
  Br  Br3  8  0.0192  0.2435  0.1890  1
  Br  Br4  4  0.1857  0.5000  0.5790  1
  Br  Br5  4  0.2311  0.0000  0.9960  1
]