# generated using pymatgen
data_Li5CuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.70261023
_cell_length_b   8.70261023
_cell_length_c   5.07502895
_cell_angle_alpha   85.01058734
_cell_angle_beta   85.01058734
_cell_angle_gamma   60.40334364
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5CuF6
_chemical_formula_sum   'Li15 Cu3 F18'
_cell_volume   332.51317121
_cell_formula_units_Z   3
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  0.66408400  0.99655400  0.06457500  1
  Li  Li1  1  0.83017700  0.83017700  0.56804200  1
  Li  Li2  1  0.99655400  0.66408400  0.06457500  1
  Li  Li3  1  0.50155000  0.83295800  0.44215100  1
  Li  Li4  1  0.83295800  0.50155000  0.44215100  1
  Li  Li5  1  0.16671300  0.83328700  0.00000000  1
  Li  Li6  1  0.33305600  0.66694400  0.50000000  1
  Li  Li7  1  0.50000000  0.50000000  0.00000000  1
  Li  Li8  1  0.66694400  0.33305600  0.50000000  1
  Li  Li9  1  0.83328700  0.16671300  0.00000000  1
  Li  Li10  1  0.16704200  0.49845000  0.55784900  1
  Li  Li11  1  0.49845000  0.16704200  0.55784900  1
  Li  Li12  1  0.00344600  0.33591600  0.93542500  1
  Li  Li13  1  0.16982300  0.16982300  0.43195800  1
  Li  Li14  1  0.33591600  0.00344600  0.93542500  1
  Cu  Cu15  1  0.00000000  0.00000000  0.50000000  1
  Cu  Cu16  1  0.66804300  0.66804300  0.94218100  1
  Cu  Cu17  1  0.33195700  0.33195700  0.05781900  1
  F  F18  1  0.91017700  0.91017700  0.88840700  1
  F  F19  1  0.58094300  0.93356600  0.74876500  1
  F  F20  1  0.75171700  0.75171700  0.27565100  1
  F  F21  1  0.93356600  0.58094300  0.74876500  1
  F  F22  1  0.26552900  0.91343000  0.64357100  1
  F  F23  1  0.40282800  0.75070500  0.15009600  1
  F  F24  1  0.58211900  0.58211900  0.62079800  1
  F  F25  1  0.08657000  0.73447100  0.35642900  1
  F  F26  1  0.75070500  0.40282800  0.15009600  1
  F  F27  1  0.24929500  0.59717200  0.84990400  1
  F  F28  1  0.91343000  0.26552900  0.64357100  1
  F  F29  1  0.41788100  0.41788100  0.37920200  1
  F  F30  1  0.59717200  0.24929500  0.84990400  1
  F  F31  1  0.73447100  0.08657000  0.35642900  1
  F  F32  1  0.06643400  0.41905700  0.25123500  1
  F  F33  1  0.24828300  0.24828300  0.72434900  1
  F  F34  1  0.41905700  0.06643400  0.25123500  1
  F  F35  1  0.08982300  0.08982300  0.11159300  1
