data_[K4Li4Er4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2239]
_cell_length_b [12.6516]
_cell_length_c [10.5005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2712]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KLiErBr5]
_chemical_formula_sum '[K4 Li4 Er4 Br20]'
_cell_volume [1125.6825]
_cell_formula_units_Z [4]
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  4  0.0000  0.3494  0.2500  1.0
  Li  Li1  4  0.0000  0.3085  0.7500  1.0
  Er  Er2  4  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.1122  0.1979  0.6091  1.0
  Br  Br4  8  0.1905  0.4358  0.9306  1.0
  Br  Br5  4  0.0000  0.0804  0.2500  1.0
]