# generated using pymatgen
data_Li3CuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20453800
_cell_length_b   5.03640800
_cell_length_c   9.04445746
_cell_angle_alpha   56.66271300
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CuF6
_chemical_formula_sum   'Li6 Cu2 F12'
_cell_volume   198.06421457
_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  0.95357900  0.26583500  0.24259800  1
  Li  Li1  1  0.50000000  0.50000000  0.00000000  1
  Li  Li2  1  0.04642100  0.73416500  0.75740200  1
  Li  Li3  1  0.54642100  0.26583500  0.74259800  1
  Li  Li4  1  0.00000000  0.50000000  0.50000000  1
  Li  Li5  1  0.45357900  0.73416500  0.25740200  1
  Cu  Cu6  1  0.50000000  0.00000000  0.50000000  1
  Cu  Cu7  1  0.00000000  0.00000000  0.00000000  1
  F  F8  1  0.17900700  0.61895100  0.06264200  1
  F  F9  1  0.19054100  0.24987300  0.42085200  1
  F  F10  1  0.42645000  0.90196200  0.73583100  1
  F  F11  1  0.57355000  0.09803800  0.26416900  1
  F  F12  1  0.80945900  0.75012700  0.57914800  1
  F  F13  1  0.82099300  0.38104900  0.93735800  1
  F  F14  1  0.32099300  0.61895100  0.56264200  1
  F  F15  1  0.30945900  0.24987300  0.92085200  1
  F  F16  1  0.07355000  0.90196200  0.23583100  1
  F  F17  1  0.92645000  0.09803800  0.76416900  1
  F  F18  1  0.69054100  0.75012700  0.07914800  1
  F  F19  1  0.67900700  0.38104900  0.43735800  1
