# generated using pymatgen
data_LiCu2F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59683414
_cell_length_b   4.59683414
_cell_length_c   8.87282506
_cell_angle_alpha   89.99989973
_cell_angle_beta   90.00010027
_cell_angle_gamma   90.02098220
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCu2F6
_chemical_formula_sum   'Li2 Cu4 F12'
_cell_volume   187.49062526
_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  -0.00000000  1
  Li  Li1  1  0.00000000  0.00000000  0.50000000  1
  Cu  Cu2  1  0.50000000  0.50000000  0.66807262  1
  Cu  Cu3  1  0.50000000  0.50000000  0.33192738  1
  Cu  Cu4  1  0.00000000  -0.00000000  0.83205567  1
  Cu  Cu5  1  -0.00000000  0.00000000  0.16794433  1
  F  F6  1  0.69149849  0.30850151  0.50000000  1
  F  F7  1  0.69755924  0.30244076  0.82819248  1
  F  F8  1  0.69756124  0.30243876  0.17180952  1
  F  F9  1  0.80237301  0.80237301  0.67178662  1
  F  F10  1  0.80237301  0.80237301  0.32821338  1
  F  F11  1  0.80834954  0.80834954  -0.00000000  1
  F  F12  1  0.19165046  0.19165046  -0.00000000  1
  F  F13  1  0.19762699  0.19762699  0.67178662  1
  F  F14  1  0.19762699  0.19762699  0.32821338  1
  F  F15  1  0.30244076  0.69755924  0.17180752  1
  F  F16  1  0.30243876  0.69756124  0.82819048  1
  F  F17  1  0.30850151  0.69149849  0.50000000  1
