# generated using pymatgen
data_Li3CuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.42767100
_cell_length_b   7.42767100
_cell_length_c   7.42767100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CuF6
_chemical_formula_sum   'Li12 Cu4 F24'
_cell_volume   409.78681126
_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  1  0.00000000  0.00000000  0.50000000  1
  Li  Li1  1  0.25000000  0.75000000  0.75000000  1
  Li  Li2  1  0.50000000  0.50000000  0.50000000  1
  Li  Li3  1  0.00000000  0.50000000  0.00000000  1
  Li  Li4  1  0.25000000  0.25000000  0.25000000  1
  Li  Li5  1  0.75000000  0.25000000  0.75000000  1
  Li  Li6  1  0.50000000  0.00000000  0.00000000  1
  Li  Li7  1  0.50000000  0.50000000  0.00000000  1
  Li  Li8  1  0.75000000  0.75000000  0.25000000  1
  Li  Li9  1  0.00000000  0.00000000  0.00000000  1
  Li  Li10  1  0.50000000  0.00000000  0.50000000  1
  Li  Li11  1  0.00000000  0.50000000  0.50000000  1
  Cu  Cu12  1  0.25000000  0.75000000  0.25000000  1
  Cu  Cu13  1  0.75000000  0.25000000  0.25000000  1
  Cu  Cu14  1  0.25000000  0.25000000  0.75000000  1
  Cu  Cu15  1  0.75000000  0.75000000  0.75000000  1
  F  F16  1  0.19578700  0.67936400  0.49279300  1
  F  F17  1  0.99279300  0.69578700  0.82063600  1
  F  F18  1  0.17936400  0.00720700  0.69578700  1
  F  F19  1  0.32063600  0.49279300  0.80421300  1
  F  F20  1  0.99279300  0.30421300  0.17936400  1
  F  F21  1  0.49279300  0.19578700  0.67936400  1
  F  F22  1  0.50720700  0.80421300  0.67936400  1
  F  F23  1  0.30421300  0.17936400  0.99279300  1
  F  F24  1  0.80421300  0.32063600  0.49279300  1
  F  F25  1  0.30421300  0.82063600  0.00720700  1
  F  F26  1  0.17936400  0.99279300  0.30421300  1
  F  F27  1  0.67936400  0.50720700  0.80421300  1
  F  F28  1  0.82063600  0.99279300  0.69578700  1
  F  F29  1  0.32063600  0.50720700  0.19578700  1
  F  F30  1  0.69578700  0.82063600  0.99279300  1
  F  F31  1  0.19578700  0.32063600  0.50720700  1
  F  F32  1  0.69578700  0.17936400  0.00720700  1
  F  F33  1  0.49279300  0.80421300  0.32063600  1
  F  F34  1  0.50720700  0.19578700  0.32063600  1
  F  F35  1  0.00720700  0.30421300  0.82063600  1
  F  F36  1  0.67936400  0.49279300  0.19578700  1
  F  F37  1  0.82063600  0.00720700  0.30421300  1
  F  F38  1  0.00720700  0.69578700  0.17936400  1
  F  F39  1  0.80421300  0.67936400  0.50720700  1
