# generated using pymatgen
data_Li3CuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91435068
_cell_length_b   8.26103464
_cell_length_c   9.46378115
_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   384.20700225
_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  0.49471704  0.44729685  0.10490180  1
  Li  Li1  1  0.00626685  0.86144234  0.12468060  1
  Li  Li2  1  0.50294420  0.05338642  0.14876129  1
  Li  Li3  1  0.00294420  0.55338642  0.35123871  1
  Li  Li4  1  0.50626685  0.36144234  0.37531940  1
  Li  Li5  1  0.99471704  0.94729685  0.39509820  1
  Li  Li6  1  0.49471704  0.05270315  0.60490180  1
  Li  Li7  1  0.00626685  0.63855766  0.62468060  1
  Li  Li8  1  0.50294420  0.44661358  0.64876129  1
  Li  Li9  1  0.00294420  0.94661358  0.85123871  1
  Li  Li10  1  0.50626685  0.13855766  0.87531940  1
  Li  Li11  1  0.99471704  0.55270315  0.89509820  1
  Cu  Cu12  1  -0.00025759  0.23963891  0.12862641  1
  Cu  Cu13  1  0.49974241  0.73963891  0.37137359  1
  Cu  Cu14  1  -0.00025759  0.26036109  0.62862641  1
  Cu  Cu15  1  0.49974241  0.76036109  0.87137359  1
  F  F16  1  0.82430031  0.08195648  0.01160243  1
  F  F17  1  0.32499284  0.24493376  0.02270160  1
  F  F18  1  0.84331582  0.40716853  0.02339474  1
  F  F19  1  0.14687799  0.06044240  0.22929873  1
  F  F20  1  0.68273920  0.23359358  0.24023374  1
  F  F21  1  0.18131534  0.38932610  0.24791844  1
  F  F22  1  0.68131534  0.88932610  0.25208156  1
  F  F23  1  0.18273920  0.73359358  0.25976626  1
  F  F24  1  0.64687799  0.56044240  0.27070127  1
  F  F25  1  0.34331582  0.90716853  0.47660526  1
  F  F26  1  0.82499284  0.74493376  0.47729840  1
  F  F27  1  0.32430031  0.58195648  0.48839757  1
  F  F28  1  0.82430031  0.41804352  0.51160243  1
  F  F29  1  0.32499284  0.25506624  0.52270160  1
  F  F30  1  0.84331582  0.09283147  0.52339474  1
  F  F31  1  0.14687799  0.43955760  0.72929873  1
  F  F32  1  0.68273920  0.26640642  0.74023374  1
  F  F33  1  0.18131534  0.11067390  0.74791844  1
  F  F34  1  0.68131534  0.61067390  0.75208156  1
  F  F35  1  0.18273920  0.76640642  0.75976626  1
  F  F36  1  0.64687799  0.93955760  0.77070127  1
  F  F37  1  0.34331582  0.59283147  0.97660526  1
  F  F38  1  0.82499284  0.75506624  0.97729840  1
  F  F39  1  0.32430031  0.91804352  0.98839757  1
