# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.73206900
_cell_length_b   8.73206900
_cell_length_c   6.21044400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li8 Fe8 F24'
_cell_volume   473.54032479
_cell_formula_units_Z   8
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  0.95761700  0.84950600  0.16396100  1
  Li  Li1  1  0.84950600  0.04238300  0.83603900  1
  Li  Li2  1  0.15049400  0.95761700  0.83603900  1
  Li  Li3  1  0.04238300  0.15049400  0.16396100  1
  Li  Li4  1  0.45761700  0.34950600  0.33603900  1
  Li  Li5  1  0.34950600  0.54238300  0.66396100  1
  Li  Li6  1  0.65049400  0.45761700  0.66396100  1
  Li  Li7  1  0.54238300  0.65049400  0.33603900  1
  Fe  Fe8  1  0.51841200  0.80743400  0.89679200  1
  Fe  Fe9  1  0.30743400  0.98158800  0.39679200  1
  Fe  Fe10  1  0.69256600  0.01841200  0.39679200  1
  Fe  Fe11  1  0.48158800  0.19256600  0.89679200  1
  Fe  Fe12  1  0.01841200  0.30743400  0.60320800  1
  Fe  Fe13  1  0.80743400  0.48158800  0.10320800  1
  Fe  Fe14  1  0.19256600  0.51841200  0.10320800  1
  Fe  Fe15  1  0.98158800  0.69256600  0.60320800  1
  F  F16  1  0.82729400  0.83216200  0.43915500  1
  F  F17  1  0.95348100  0.84104300  0.85723400  1
  F  F18  1  0.48452500  0.85926200  0.26786000  1
  F  F19  1  0.16783800  0.82729400  0.56084500  1
  F  F20  1  0.64073800  0.98452500  0.76786000  1
  F  F21  1  0.15895700  0.95348100  0.14276600  1
  F  F22  1  0.84104300  0.04651900  0.14276600  1
  F  F23  1  0.35926200  0.01547500  0.76786000  1
  F  F24  1  0.83216200  0.17270600  0.56084500  1
  F  F25  1  0.51547500  0.14073800  0.26786000  1
  F  F26  1  0.04651900  0.15895700  0.85723400  1
  F  F27  1  0.17270600  0.16783800  0.43915500  1
  F  F28  1  0.32729400  0.33216200  0.06084500  1
  F  F29  1  0.45348100  0.34104300  0.64276600  1
  F  F30  1  0.98452500  0.35926200  0.23214000  1
  F  F31  1  0.66783800  0.32729400  0.93915500  1
  F  F32  1  0.14073800  0.48452500  0.73214000  1
  F  F33  1  0.65895700  0.45348100  0.35723400  1
  F  F34  1  0.34104300  0.54651900  0.35723400  1
  F  F35  1  0.85926200  0.51547500  0.73214000  1
  F  F36  1  0.33216200  0.67270600  0.93915500  1
  F  F37  1  0.01547500  0.64073800  0.23214000  1
  F  F38  1  0.54651900  0.65895700  0.64276600  1
  F  F39  1  0.67270600  0.66783800  0.06084500  1
