data_[Cs1Li1Co2F8]
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
  Co  1.8800  1.3500  0.7683
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0760]
_cell_length_b [6.0466]
_cell_length_c [6.5412]
_cell_angle_alpha [105.6949]
_cell_angle_beta [97.6969]
_cell_angle_gamma [91.1657]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsLiCo2F8]
_chemical_formula_sum '[Cs1 Li1 Co2 F8]'
_cell_volume [191.2049]
_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
  Li  Li1  1  0.0000  0.0000  0.0000  1
  Co  Co2  2  0.4986  0.3906  0.1818  1
  F  F3  2  0.2000  0.7628  0.8526  1
  F  F4  2  0.3132  0.5886  0.3546  1
  F  F5  2  0.3221  0.1399  0.2115  1
  F  F6  2  0.3281  0.3564  0.8778  1
]