data_[Cs4Li4Er4Br20]
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
  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 [9.6625]
_cell_length_b [12.9922]
_cell_length_c [10.6725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4272]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsLiErBr5]
_chemical_formula_sum '[Cs4 Li4 Er4 Br20]'
_cell_volume [1229.3504]
_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
[
  Cs  Cs0  4  0.0000  0.3409  0.7500  1.0
  Li  Li1  4  0.0000  0.3069  0.2500  1.0
  Er  Er2  4  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.0946  0.1978  0.0981  1.0
  Br  Br4  8  0.2039  0.4318  0.4186  1.0
  Br  Br5  4  0.0000  0.0644  0.7500  1.0
]