# generated using pymatgen
data_Li5CuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13729529
_cell_length_b   5.13729529
_cell_length_c   5.14646913
_cell_angle_alpha   79.89385742
_cell_angle_beta   79.89385742
_cell_angle_gamma   119.62825863
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5CuF6
_chemical_formula_sum   'Li5 Cu1 F6'
_cell_volume   110.64268597
_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  0.83429300  0.16570700  0.50000000  1
  Li  Li1  1  0.66715800  0.33284200  0.00000000  1
  Li  Li2  1  0.50000000  0.50000000  0.50000000  1
  Li  Li3  1  0.33284200  0.66715800  0.00000000  1
  Li  Li4  1  0.16570700  0.83429300  0.50000000  1
  Cu  Cu5  1  0.00000000  0.00000000  0.00000000  1
  F  F6  1  0.91448000  0.56017500  0.25448200  1
  F  F7  1  0.43982500  0.08552000  0.74551800  1
  F  F8  1  0.73380600  0.73380600  0.72952400  1
  F  F9  1  0.26619400  0.26619400  0.27047600  1
  F  F10  1  0.56017500  0.91448000  0.25448200  1
  F  F11  1  0.08552000  0.43982500  0.74551800  1
