# generated using pymatgen
data_Li2CuF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.86276791
_cell_length_b   8.86276791
_cell_length_c   8.86276848
_cell_angle_alpha   107.01273949
_cell_angle_beta   107.01273949
_cell_angle_gamma   107.01274327
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuF4
_chemical_formula_sum   'Li12 Cu6 F24'
_cell_volume   579.56588096
_cell_formula_units_Z   6
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  0.87302500  0.27424800  0.10551500  1
  Li  Li1  1  0.89448500  0.12697500  0.72575200  1
  Li  Li2  1  0.79717100  0.38948500  0.56338100  1
  Li  Li3  1  0.72575200  0.89448500  0.12697500  1
  Li  Li4  1  0.61051500  0.43661900  0.20282900  1
  Li  Li5  1  0.56338100  0.79717100  0.38948500  1
  Li  Li6  1  0.43661900  0.20282900  0.61051500  1
  Li  Li7  1  0.38948500  0.56338100  0.79717100  1
  Li  Li8  1  0.27424800  0.10551500  0.87302500  1
  Li  Li9  1  0.20282900  0.61051500  0.43661900  1
  Li  Li10  1  0.10551500  0.87302500  0.27424800  1
  Li  Li11  1  0.12697500  0.72575200  0.89448500  1
  Cu  Cu12  1  0.93648300  0.77275300  0.53575900  1
  Cu  Cu13  1  0.46424100  0.06351700  0.22724700  1
  Cu  Cu14  1  0.77275300  0.53575900  0.93648300  1
  Cu  Cu15  1  0.22724700  0.46424100  0.06351700  1
  Cu  Cu16  1  0.53575900  0.93648300  0.77275300  1
  Cu  Cu17  1  0.06351700  0.22724700  0.46424100  1
  F  F18  1  0.71085600  0.04133100  0.00770300  1
  F  F19  1  0.91584400  0.24687000  0.58477400  1
  F  F20  1  0.99229700  0.28914400  0.95866900  1
  F  F21  1  0.75313000  0.41522600  0.08415600  1
  F  F22  1  0.95697900  0.62705300  0.66176200  1
  F  F23  1  0.95866900  0.99229700  0.28914400  1
  F  F24  1  0.63301300  0.29965800  0.33254800  1
  F  F25  1  0.70034200  0.66745200  0.36698700  1
  F  F26  1  0.66745200  0.36698700  0.70034200  1
  F  F27  1  0.37294700  0.33823800  0.04302100  1
  F  F28  1  0.58477400  0.91584400  0.24687000  1
  F  F29  1  0.33823800  0.04302100  0.37294700  1
  F  F30  1  0.66176200  0.95697900  0.62705300  1
  F  F31  1  0.41522600  0.08415600  0.75313000  1
  F  F32  1  0.62705300  0.66176200  0.95697900  1
  F  F33  1  0.33254800  0.63301300  0.29965800  1
  F  F34  1  0.29965800  0.33254800  0.63301300  1
  F  F35  1  0.36698700  0.70034200  0.66745200  1
  F  F36  1  0.04133100  0.00770300  0.71085600  1
  F  F37  1  0.04302100  0.37294700  0.33823800  1
  F  F38  1  0.24687000  0.58477400  0.91584400  1
  F  F39  1  0.00770300  0.71085600  0.04133100  1
  F  F40  1  0.08415600  0.75313000  0.41522600  1
  F  F41  1  0.28914400  0.95866900  0.99229700  1
