# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55560800
_cell_length_b   6.67508823
_cell_length_c   8.80483243
_cell_angle_alpha   90.58382742
_cell_angle_beta   104.57472789
_cell_angle_gamma   96.80973418
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li6 Fe6 F18'
_cell_volume   369.94238491
_cell_formula_units_Z   6
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  0.65185200  0.55786400  0.25656000  1
  Li  Li1  1  0.79479800  0.69441900  0.97908600  1
  Li  Li2  1  0.97534000  0.10044900  0.70208100  1
  Li  Li3  1  0.02466000  0.89955100  0.29791900  1
  Li  Li4  1  0.20520200  0.30558100  0.02091400  1
  Li  Li5  1  0.34814800  0.44213600  0.74344000  1
  Fe  Fe6  1  0.75647500  0.64169400  0.58144400  1
  Fe  Fe7  1  0.57444600  0.06358200  0.33226900  1
  Fe  Fe8  1  0.29235500  0.81162300  0.00018000  1
  Fe  Fe9  1  0.70764500  0.18837700  0.99982000  1
  Fe  Fe10  1  0.42555400  0.93641800  0.66773100  1
  Fe  Fe11  1  0.24352500  0.35830600  0.41855600  1
  F  F12  1  0.17788300  0.40991600  0.20412800  1
  F  F13  1  0.49300800  0.77932100  0.23925900  1
  F  F14  1  0.70507800  0.96211200  0.57161100  1
  F  F15  1  0.58631400  0.36880800  0.41409200  1
  F  F16  1  0.42365500  0.12733500  0.08555900  1
  F  F17  1  0.71264200  0.47177000  0.08263100  1
  F  F18  1  0.94663100  0.16951700  0.90186400  1
  F  F19  1  0.16096400  0.89343800  0.75184600  1
  F  F20  1  0.89594500  0.69304400  0.40810900  1
  F  F21  1  0.10405500  0.30695600  0.59189100  1
  F  F22  1  0.83903600  0.10656200  0.24815400  1
  F  F23  1  0.05336900  0.83048300  0.09813600  1
  F  F24  1  0.28735800  0.52823000  0.91736900  1
  F  F25  1  0.57634500  0.87266500  0.91444100  1
  F  F26  1  0.41368600  0.63119200  0.58590800  1
  F  F27  1  0.29492200  0.03788800  0.42838900  1
  F  F28  1  0.50699200  0.22067900  0.76074100  1
  F  F29  1  0.82211700  0.59008400  0.79587200  1
