# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51602552
_cell_length_b   7.51602552
_cell_length_c   7.51602558
_cell_angle_alpha   114.06515578
_cell_angle_beta   114.06515578
_cell_angle_gamma   114.06515811
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li3 Fe3 F12'
_cell_volume   256.70645384
_cell_formula_units_Z   3
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  0.28513100  0.01839900  0.28513100  1
  Li  Li1  1  0.28513100  0.28513100  0.01839900  1
  Li  Li2  1  0.01839900  0.28513100  0.28513100  1
  Fe  Fe3  1  0.92639200  0.40117200  0.92639200  1
  Fe  Fe4  1  0.92639200  0.92639200  0.40117200  1
  Fe  Fe5  1  0.40117200  0.92639200  0.92639200  1
  F  F6  1  0.96910200  0.16947200  0.69275500  1
  F  F7  1  0.69275500  0.16947200  0.96910200  1
  F  F8  1  0.96910200  0.69275500  0.16947200  1
  F  F9  1  0.18495500  0.59651500  0.59651500  1
  F  F10  1  0.42578800  0.17621800  0.17621800  1
  F  F11  1  0.59651500  0.59651500  0.18495500  1
  F  F12  1  0.17621800  0.17621800  0.42578800  1
  F  F13  1  0.17621800  0.42578800  0.17621800  1
  F  F14  1  0.59651500  0.18495500  0.59651500  1
  F  F15  1  0.69275500  0.96910200  0.16947200  1
  F  F16  1  0.16947200  0.69275500  0.96910200  1
  F  F17  1  0.16947200  0.96910200  0.69275500  1
