# generated using pymatgen
data_Li2CuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59396597
_cell_length_b   4.59396597
_cell_length_c   8.55390028
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuF6
_chemical_formula_sum   'Li4 Cu2 F12'
_cell_volume   180.52598805
_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  1  0.50000000  0.50000000  0.34142375  1
  Li  Li1  1  0.50000000  0.50000000  0.65857625  1
  Li  Li2  1  -0.00000000  0.00000000  0.15857625  1
  Li  Li3  1  -0.00000000  0.00000000  0.84142375  1
  Cu  Cu4  1  0.50000000  0.50000000  -0.00000000  1
  Cu  Cu5  1  -0.00000000  0.00000000  0.50000000  1
  F  F6  1  0.68585070  0.31414930  0.15488958  1
  F  F7  1  0.68585070  0.31414930  0.84511042  1
  F  F8  1  0.70735348  0.29264652  0.50000000  1
  F  F9  1  0.79264652  0.79264652  -0.00000000  1
  F  F10  1  0.81414930  0.81414930  0.34511042  1
  F  F11  1  0.81414930  0.81414930  0.65488958  1
  F  F12  1  0.18585070  0.18585070  0.34511042  1
  F  F13  1  0.18585070  0.18585070  0.65488958  1
  F  F14  1  0.20735348  0.20735348  -0.00000000  1
  F  F15  1  0.29264652  0.70735348  0.50000000  1
  F  F16  1  0.31414930  0.68585070  0.15488958  1
  F  F17  1  0.31414930  0.68585070  0.84511042  1
