data_[Cs2Li2Fe2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  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 [6.3589]
_cell_length_b [7.6639]
_cell_length_c [10.3304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3401]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsLiFeBr4]
_chemical_formula_sum '[Cs2 Li2 Fe2 Br8]'
_cell_volume [480.5639]
_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  0.2138  0.2500  0.8705  1.0
  Li  Li1  2  0.3918  0.7500  0.5078  1.0
  Fe  Fe2  2  0.1165  0.2500  0.2947  1.0
  Br  Br3  4  0.3749  0.0019  0.3072  1.0
  Br  Br4  2  0.0123  0.2500  0.4996  1.0
  Br  Br5  2  0.1767  0.7500  0.9176  1.0
]