data_[Cs4Li4Cu2F12]
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
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1416]
_cell_length_b [5.8939]
_cell_length_c [6.4285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4257]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Li2CuF6]
_chemical_formula_sum '[Cs4 Li4 Cu2 F12]'
_cell_volume [381.2568]
_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  4  0.2145  0.5000  0.1690  1
  Li  Li1  4  0.0760  0.0000  0.2866  1
  Cu  Cu2  2  0.0000  0.5000  0.5000  1
  F  F3  8  0.0090  0.2671  0.7195  1
  F  F4  4  0.2383  0.0000  0.2951  1
]