data_[Li8Cu16F40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P4_2/nbc]
_cell_length_a [10.0303]
_cell_length_b [10.0303]
_cell_length_c [12.2877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [133]
_chemical_formula_structural [LiCu2F5]
_chemical_formula_sum '[Li8 Cu16 F40]'
_cell_volume [1236.2387]
_cell_formula_units_Z [8]
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
[
  Li  Li0  4  0.0000  0.5000  0.0000  1
  Li  Li1  4  0.0000  0.5000  0.2500  1
  Cu  Cu2  16  0.2017  0.2813  0.8584  1
  F  F3  16  0.0532  0.3811  0.8903  1
  F  F4  16  0.1462  0.3054  0.2879  1
  F  F5  8  0.2369  0.2631  0.5000  1
]