data_[Li12Cu4F20]
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 [C2/c]
_cell_length_a [10.8799]
_cell_length_b [5.9051]
_cell_length_c [6.8306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li3CuF5]
_chemical_formula_sum '[Li12 Cu4 F20]'
_cell_volume [415.2291]
_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
[
  Li  Li0  8  0.2484  0.3021  0.3288  1.0
  Li  Li1  4  0.0000  0.4869  0.7500  1.0
  Cu  Cu2  4  0.0000  0.0000  0.0000  1.0
  F  F3  8  0.1161  0.3473  0.4560  1.0
  F  F4  8  0.1745  0.0880  0.1342  1.0
  F  F5  4  0.0000  0.1689  0.7500  1.0
]