# generated using pymatgen
data_Li2CuF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36089500
_cell_length_b   7.16757000
_cell_length_c   9.49517400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuF5
_chemical_formula_sum   'Li8 Cu4 F20'
_cell_volume   364.84816959
_cell_formula_units_Z   4
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  0.75000000  0.04936500  0.72880400  1
  Li  Li1  1  0.75000000  0.10106000  0.43146200  1
  Li  Li2  1  0.25000000  0.39894000  0.93146200  1
  Li  Li3  1  0.25000000  0.45063500  0.22880400  1
  Li  Li4  1  0.75000000  0.54936500  0.77119600  1
  Li  Li5  1  0.75000000  0.60106000  0.06853800  1
  Li  Li6  1  0.25000000  0.89894000  0.56853800  1
  Li  Li7  1  0.25000000  0.95063500  0.27119600  1
  Cu  Cu8  1  0.75000000  0.18232200  0.04896900  1
  Cu  Cu9  1  0.25000000  0.31767800  0.54896900  1
  Cu  Cu10  1  0.75000000  0.68232200  0.45103100  1
  Cu  Cu11  1  0.25000000  0.81767800  0.95103100  1
  F  F12  1  0.50000000  0.00000000  0.00000000  1
  F  F13  1  0.00000000  0.00000000  0.00000000  1
  F  F14  1  0.75000000  0.09701900  0.23258100  1
  F  F15  1  0.99461600  0.13495500  0.58835600  1
  F  F16  1  0.50538400  0.13495500  0.58835600  1
  F  F17  1  0.25000000  0.23648100  0.35819800  1
  F  F18  1  0.75000000  0.26351900  0.85819800  1
  F  F19  1  0.00538400  0.36504500  0.08835600  1
  F  F20  1  0.49461600  0.36504500  0.08835600  1
  F  F21  1  0.25000000  0.40298100  0.73258100  1
  F  F22  1  0.50000000  0.50000000  0.50000000  1
  F  F23  1  0.00000000  0.50000000  0.50000000  1
  F  F24  1  0.75000000  0.59701900  0.26741900  1
  F  F25  1  0.50538400  0.63495500  0.91164400  1
  F  F26  1  0.99461600  0.63495500  0.91164400  1
  F  F27  1  0.25000000  0.73648100  0.14180200  1
  F  F28  1  0.75000000  0.76351900  0.64180200  1
  F  F29  1  0.00538400  0.86504500  0.41164400  1
  F  F30  1  0.49461600  0.86504500  0.41164400  1
  F  F31  1  0.25000000  0.90298100  0.76741900  1
