# generated using pymatgen
data_LiCuF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05690681
_cell_length_b   5.05690681
_cell_length_c   14.61170200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001064
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuF3
_chemical_formula_sum   'Li6 Cu6 F18'
_cell_volume   323.59462029
_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  0.11709600  0.05854800  0.58333300  1
  Li  Li1  1  0.94145200  0.88290400  0.25000000  1
  Li  Li2  1  0.05854800  0.94145200  0.41666700  1
  Li  Li3  1  0.94145200  0.05854800  0.91666700  1
  Li  Li4  1  0.05854800  0.11709600  0.75000000  1
  Li  Li5  1  0.88290400  0.94145200  0.08333300  1
  Cu  Cu6  1  0.57215600  0.28607800  0.08333300  1
  Cu  Cu7  1  0.71392200  0.42784400  0.75000000  1
  Cu  Cu8  1  0.71392200  0.28607800  0.41666700  1
  Cu  Cu9  1  0.28607800  0.71392200  0.91666700  1
  Cu  Cu10  1  0.28607800  0.57215600  0.25000000  1
  Cu  Cu11  1  0.42784400  0.71392200  0.58333300  1
  F  F12  1  0.24092800  0.24092800  0.16666700  1
  F  F13  1  0.40846700  0.29891200  0.49035100  1
  F  F14  1  0.40846700  0.10955400  0.67631500  1
  F  F15  1  0.75907200  0.75907200  0.66666700  1
  F  F16  1  0.70108800  0.59153300  0.34298200  1
  F  F17  1  0.89044600  0.59153300  0.15701800  1
  F  F18  1  0.00000000  0.75907200  0.83333300  1
  F  F19  1  0.70108800  0.10955400  0.82368500  1
  F  F20  1  0.24092800  0.00000000  0.00000000  1
  F  F21  1  0.89044600  0.29891200  0.00964900  1
  F  F22  1  0.10955400  0.70108800  0.50964900  1
  F  F23  1  0.75907200  0.00000000  0.50000000  1
  F  F24  1  0.29891200  0.89044600  0.32368500  1
  F  F25  1  0.00000000  0.24092800  0.33333300  1
  F  F26  1  0.10955400  0.40846700  0.65701800  1
  F  F27  1  0.29891200  0.40846700  0.84298200  1
  F  F28  1  0.59153300  0.89044600  0.17631500  1
  F  F29  1  0.59153300  0.70108800  0.99035100  1
