data_[Cs1Li1Er2F8]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2966]
_cell_length_b [6.7552]
_cell_length_c [7.2286]
_cell_angle_alpha [82.9761]
_cell_angle_beta [85.0678]
_cell_angle_gamma [89.4228]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsLiEr2F8]
_chemical_formula_sum '[Cs1 Li1 Er2 F8]'
_cell_volume [207.4583]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Li  Li1  1  0.0000  0.0000  0.0000  1.0
  Er  Er2  2  0.4374  0.4480  0.7625  1.0
  F  F3  2  0.0573  0.4835  0.2733  1.0
  F  F4  2  0.2427  0.1459  0.8272  1.0
  F  F5  2  0.3780  0.6788  0.9567  1.0
  F  F6  2  0.4741  0.6886  0.5120  1.0
]