# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38012815
_cell_length_b   6.38012815
_cell_length_c   5.36627417
_cell_angle_alpha   86.34775290
_cell_angle_beta   86.34775290
_cell_angle_gamma   46.55587614
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li2 Fe2 F8'
_cell_volume   158.21536664
_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  0.02251473  0.97748527  0.25000000  1
  Li  Li1  1  0.97748527  0.02251473  0.75000000  1
  Fe  Fe2  1  0.00000000  0.50000000  0.00000000  1
  Fe  Fe3  1  0.50000000  -0.00000000  0.50000000  1
  F  F4  1  0.77430234  0.03489128  0.50409854  1
  F  F5  1  0.22819418  0.35363493  0.68904967  1
  F  F6  1  0.03489128  0.77430234  0.00409854  1
  F  F7  1  0.35363493  0.22819418  0.18904967  1
  F  F8  1  0.64636507  0.77180582  0.81095033  1
  F  F9  1  0.96510872  0.22569766  0.99590146  1
  F  F10  1  0.77180582  0.64636507  0.31095033  1
  F  F11  1  0.22569766  0.96510872  0.49590146  1
