# generated using pymatgen
data_Li2CuF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99128500
_cell_length_b   7.66990300
_cell_length_c   9.89939472
_cell_angle_alpha   70.10089574
_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   356.34797205
_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  0.48423500  0.89732200  0.87315900  1
  Li  Li1  1  0.01576500  0.89732200  0.37315900  1
  Li  Li2  1  0.98655600  0.65642200  0.67483500  1
  Li  Li3  1  0.51344400  0.65642200  0.17483500  1
  Li  Li4  1  0.48655600  0.34357800  0.82516500  1
  Li  Li5  1  0.01344400  0.34357800  0.32516500  1
  Li  Li6  1  0.98423500  0.10267800  0.62684100  1
  Li  Li7  1  0.51576500  0.10267800  0.12684100  1
  Cu  Cu8  1  0.50000000  0.00000000  0.50000000  1
  Cu  Cu9  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu10  1  0.50000000  0.50000000  0.50000000  1
  Cu  Cu11  1  0.00000000  0.50000000  0.00000000  1
  F  F12  1  0.64956900  0.96247200  0.68722100  1
  F  F13  1  0.17792100  0.87204400  0.57662900  1
  F  F14  1  0.85043100  0.96247200  0.18722100  1
  F  F15  1  0.24733400  0.63293800  0.87582000  1
  F  F16  1  0.69943300  0.77281900  0.50752500  1
  F  F17  1  0.32207900  0.87204400  0.07662900  1
  F  F18  1  0.78539700  0.51892500  0.84693000  1
  F  F19  1  0.25266600  0.63293800  0.37582000  1
  F  F20  1  0.80056700  0.77281900  0.00752500  1
  F  F21  1  0.28539700  0.48107500  0.65307000  1
  F  F22  1  0.71460300  0.51892500  0.34693000  1
  F  F23  1  0.19943300  0.22718100  0.99247500  1
  F  F24  1  0.74733400  0.36706200  0.62418000  1
  F  F25  1  0.21460300  0.48107500  0.15307000  1
  F  F26  1  0.67792100  0.12795600  0.92337100  1
  F  F27  1  0.30056700  0.22718100  0.49247500  1
  F  F28  1  0.75266600  0.36706200  0.12418000  1
  F  F29  1  0.14956900  0.03752800  0.81277900  1
  F  F30  1  0.82207900  0.12795600  0.42337100  1
  F  F31  1  0.35043100  0.03752800  0.31277900  1
