# generated using pymatgen
data_Li2CuF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16756996
_cell_length_b   5.36089500
_cell_length_c   9.49517425
_cell_angle_alpha   90.00000603
_cell_angle_beta   90.12050434
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuF5
_chemical_formula_sum   'Li8 Cu4 F20'
_cell_volume   364.84737039
_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  0.04970400  0.25000000  0.72895400  1
  Li  Li1  1  0.10139900  0.25000000  0.43161300  1
  Li  Li2  1  0.39813300  0.75000000  0.93199200  1
  Li  Li3  1  0.45069100  0.75000000  0.22868900  1
  Li  Li4  1  0.54910500  0.25000000  0.77109900  1
  Li  Li5  1  0.60136900  0.25000000  0.06836800  1
  Li  Li6  1  0.89850600  0.75000000  0.56816800  1
  Li  Li7  1  0.95054500  0.75000000  0.27121300  1
  Cu  Cu8  1  0.18266100  0.25000000  0.04912000  1
  Cu  Cu9  1  0.31801700  0.75000000  0.54880100  1
  Cu  Cu10  1  0.68191400  0.25000000  0.45118200  1
  Cu  Cu11  1  0.81710800  0.75000000  0.95106000  1
  F  F12  1  0.99986000  0.99988400  0.99993300  1
  F  F13  1  0.99986000  0.50011600  0.99993200  1
  F  F14  1  0.09735800  0.25000000  0.23273200  1
  F  F15  1  0.13529300  0.49461600  0.58850700  1
  F  F16  1  0.13529300  0.00538400  0.58850700  1
  F  F17  1  0.23682000  0.75000000  0.35834900  1
  F  F18  1  0.26415200  0.25000000  0.85701600  1
  F  F19  1  0.36463400  0.50485600  0.08849500  1
  F  F20  1  0.36463400  0.99514400  0.08849500  1
  F  F21  1  0.40252900  0.75000000  0.73140200  1
  F  F22  1  0.49990300  0.99980600  0.50005100  1
  F  F23  1  0.49990200  0.50019400  0.50005100  1
  F  F24  1  0.59756100  0.25000000  0.26840100  1
  F  F25  1  0.63567900  0.00475700  0.91146500  1
  F  F26  1  0.63567900  0.49524300  0.91146500  1
  F  F27  1  0.73610100  0.75000000  0.14262900  1
  F  F28  1  0.76334400  0.25000000  0.64198800  1
  F  F29  1  0.86480100  0.50577100  0.41148800  1
  F  F30  1  0.86480100  0.99422900  0.41148800  1
  F  F31  1  0.90264500  0.75000000  0.76734600  1
