data_[K2Rb2Fe2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Fe  1.8300  1.4000  0.8525
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5102]
_cell_length_b [7.6615]
_cell_length_c [9.5212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4558]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KRbFeBr4]
_chemical_formula_sum '[K2 Rb2 Fe2 Br8]'
_cell_volume [519.6635]
_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
[
  K  K0  2  0.2202  0.2500  0.5508  1.0
  Rb  Rb1  2  0.2721  0.2500  0.0696  1.0
  Fe  Fe2  2  0.2224  0.7500  0.3051  1.0
  Br  Br3  4  0.0044  0.5006  0.2496  1.0
  Br  Br4  2  0.3998  0.7500  0.5661  1.0
  Br  Br5  2  0.4113  0.7500  0.1396  1.0
]