data_[Li12Cu2F16]
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/m]
_cell_length_a [10.1484]
_cell_length_b [5.6992]
_cell_length_c [5.9320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3798]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li6CuF8]
_chemical_formula_sum '[Li12 Cu2 F16]'
_cell_volume [292.9098]
_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
[
  Li  Li0  4  0.1554  0.0000  0.9678  1.0
  Li  Li1  4  0.2500  0.2500  0.5000  1.0
  Li  Li2  2  0.0000  0.0000  0.5000  1.0
  Li  Li3  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu4  2  0.0000  0.5000  0.0000  1.0
  F  F5  8  0.0005  0.2554  0.2320  1.0
  F  F6  4  0.2199  0.5000  0.6818  1.0
  F  F7  4  0.2213  0.0000  0.7210  1.0
]