# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.76896967
_cell_length_b   7.76896967
_cell_length_c   7.91747800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999719
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li6 Fe6 F24'
_cell_volume   413.85133569
_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  0.95475300  0.80094900  0.05536900  1
  Li  Li1  1  0.99630800  0.34722700  0.99958700  1
  Li  Li2  1  0.35091900  0.00369200  0.66625400  1
  Li  Li3  1  0.19905100  0.15380400  0.38870200  1
  Li  Li4  1  0.65277300  0.64908100  0.33292000  1
  Li  Li5  1  0.84619600  0.04524700  0.72203600  1
  Fe  Fe6  1  0.12951100  0.66216200  0.38139000  1
  Fe  Fe7  1  0.33783800  0.46735000  0.71472300  1
  Fe  Fe8  1  0.53265000  0.87048900  0.04805700  1
  Fe  Fe9  1  0.40739800  0.24153600  0.06438000  1
  Fe  Fe10  1  0.83413800  0.59260200  0.73104700  1
  Fe  Fe11  1  0.75846400  0.16586200  0.39771300  1
  F  F12  1  0.27430900  0.70735900  0.15792600  1
  F  F13  1  0.37744400  0.01652600  0.92545900  1
  F  F14  1  0.10045400  0.73243000  0.63166500  1
  F  F15  1  0.98347400  0.36091800  0.25879200  1
  F  F16  1  0.26757000  0.36802400  0.96499900  1
  F  F17  1  0.31121200  0.23149500  0.61609000  1
  F  F18  1  0.43305100  0.72569100  0.82459200  1
  F  F19  1  0.29264100  0.56694900  0.49125900  1
  F  F20  1  0.63197600  0.89954600  0.29833200  1
  F  F21  1  0.14549800  0.05942500  0.14974200  1
  F  F22  1  0.44759700  0.38227100  0.27181000  1
  F  F23  1  0.29280500  0.94517400  0.40521900  1
  F  F24  1  0.63908200  0.62255600  0.59212600  1
  F  F25  1  0.57410700  0.40612100  0.85059600  1
  F  F26  1  0.65236900  0.70719500  0.07188500  1
  F  F27  1  0.91392600  0.85450200  0.81640900  1
  F  F28  1  0.92028300  0.68878800  0.28275700  1
  F  F29  1  0.83201400  0.42589300  0.51726300  1
  F  F30  1  0.61772900  0.06532600  0.60514400  1
  F  F31  1  0.93467400  0.55240300  0.93847700  1
  F  F32  1  0.59387900  0.16798600  0.18392900  1
  F  F33  1  0.05482600  0.34763100  0.73855200  1
  F  F34  1  0.94057500  0.08607400  0.48307500  1
  F  F35  1  0.76850500  0.07971700  0.94942400  1
