# generated using pymatgen
data_Li5CuF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94298292
_cell_length_b   4.94298292
_cell_length_c   5.75909648
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   110.12968457
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5CuF8
_chemical_formula_sum   'Li5 Cu1 F8'
_cell_volume   132.11719637
_cell_formula_units_Z   1
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  0.50000000  0.22845097  1
  Li  Li1  1  0.00000000  0.50000000  0.77154903  1
  Li  Li2  1  0.50000000  0.50000000  -0.00000000  1
  Li  Li3  1  0.50000000  0.00000000  0.22845097  1
  Li  Li4  1  0.50000000  0.00000000  0.77154903  1
  Cu  Cu5  1  0.50000000  0.50000000  0.50000000  1
  F  F6  1  0.26392105  0.73607895  -0.00000000  1
  F  F7  1  0.26694164  0.73305836  0.50000000  1
  F  F8  1  0.27253306  0.27253306  0.26145993  1
  F  F9  1  0.27253306  0.27253306  0.73854007  1
  F  F10  1  0.72746694  0.72746694  0.26145993  1
  F  F11  1  0.72746694  0.72746694  0.73854007  1
  F  F12  1  0.73305836  0.26694164  0.50000000  1
  F  F13  1  0.73607895  0.26392105  -0.00000000  1
