data_[Cs2Er2Fe4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Er  1.2400  1.7500  1.0300
  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 [11.3914]
_cell_length_b [7.7600]
_cell_length_c [10.5801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0914]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsEr(FeBr4)2]
_chemical_formula_sum '[Cs2 Er2 Fe4 Br16]'
_cell_volume [928.0918]
_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
  Er  Er1  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  4  0.1173  0.5000  0.7949  1.0
  Br  Br3  8  0.0190  0.2494  0.1942  1.0
  Br  Br4  4  0.1862  0.5000  0.5936  1.0
  Br  Br5  4  0.2438  0.0000  0.0043  1.0
]