# generated using pymatgen
data_LiCuF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43005218
_cell_length_b   4.77778998
_cell_length_c   5.67486993
_cell_angle_alpha   90.00000000
_cell_angle_beta   118.44805451
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuF4
_chemical_formula_sum   'Li2 Cu2 F8'
_cell_volume   129.44909752
_cell_formula_units_Z   2
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  0.50000000  0.00000000  0.50000000  1
  Li  Li1  1  0.50000000  0.50000000  0.00000000  1
  Cu  Cu2  1  -0.00000000  0.50000000  0.50000000  1
  Cu  Cu3  1  -0.00000000  0.00000000  0.00000000  1
  F  F4  1  0.14618851  0.30451125  0.80463063  1
  F  F5  1  0.14618851  0.19548875  0.30463063  1
  F  F6  1  0.32778894  0.67856328  0.63334068  1
  F  F7  1  0.67221106  0.17856328  0.86665932  1
  F  F8  1  0.32778894  0.82143672  0.13334068  1
  F  F9  1  0.67221106  0.32143672  0.36665932  1
  F  F10  1  0.85381149  0.80451125  0.69536937  1
  F  F11  1  0.85381149  0.69548875  0.19536937  1
