# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47513222
_cell_length_b   4.65956378
_cell_length_c   5.55722818
_cell_angle_alpha   89.99991634
_cell_angle_beta   114.53189176
_cell_angle_gamma   90.00005500
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li2 Fe2 F8'
_cell_volume   128.97655242
_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
  Fe  Fe2  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe3  1  0.00000000  -0.00000000  -0.00000000  1
  F  F4  1  0.14693223  0.29386553  0.84153102  1
  F  F5  1  0.14693223  0.20613547  0.34153102  1
  F  F6  1  0.33145823  0.69204073  0.63749692  1
  F  F7  1  0.33145823  0.80795827  0.13749692  1
  F  F8  1  0.66854177  0.19204173  0.86250308  1
  F  F9  1  0.66854177  0.30795927  0.36250308  1
  F  F10  1  0.85306777  0.79386453  0.65846898  1
  F  F11  1  0.85306777  0.70613447  0.15846898  1
