# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04237200
_cell_length_b   5.12507537
_cell_length_c   5.13006033
_cell_angle_alpha   91.12019228
_cell_angle_beta   99.17554934
_cell_angle_gamma   92.41935898
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li2 Fe2 F8'
_cell_volume   130.71432277
_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  0.75327200  0.02232600  0.68290800  1
  Li  Li1  1  0.24672800  0.97767400  0.31709200  1
  Fe  Fe2  1  0.78063100  0.45668300  0.19984100  1
  Fe  Fe3  1  0.21936900  0.54331700  0.80015900  1
  F  F4  1  0.60024900  0.15986800  0.31886800  1
  F  F5  1  0.04439000  0.26203300  0.00640800  1
  F  F6  1  0.08855400  0.28542400  0.50941700  1
  F  F7  1  0.56386800  0.35726700  0.82851200  1
  F  F8  1  0.43613200  0.64273300  0.17148800  1
  F  F9  1  0.91144600  0.71457600  0.49058300  1
  F  F10  1  0.95561000  0.73796700  0.99359200  1
  F  F11  1  0.39975100  0.84013200  0.68113200  1
