[CIF]
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  8.36197772  7.41794501  1.01827061  1
  Li  Li1  1  7.41794501  0.37009128  5.19217339  1
  Li  Li2  1  1.31412399  8.36197772  5.19217339  1
  Li  Li3  1  0.37009128  1.31412399  1.01827061  1
  Li  Li4  1  3.99594322  3.05191051  2.08695139  1
  Li  Li5  1  3.05191051  4.73612578  4.12349261  1
  Li  Li6  1  5.68015849  3.99594322  4.12349261  1
  Li  Li7  1  4.73612578  5.68015849  2.08695139  1
  Fe  Fe8  1  4.52680935  7.05056940  5.56947650  1
  Fe  Fe9  1  2.68453490  8.57129415  2.46425450  1
  Fe  Fe10  1  6.04753410  0.16077485  2.46425450  1
  Fe  Fe11  1  4.20525965  1.68149960  5.56947650  1
  Fe  Fe12  1  0.16077485  2.68453490  3.74618950  1
  Fe  Fe13  1  7.05056940  4.20525965  0.64096750  1
  Fe  Fe14  1  1.68149960  4.52680935  0.64096750  1
  Fe  Fe15  1  8.57129415  6.04753410  3.74618950  1
  F  F16  1  7.22398829  7.26649600  2.72734753  1
  F  F17  1  8.32586188  7.34404551  5.32380375  1
  F  F18  1  4.23090573  7.50313507  1.66352953  1
  F  F19  1  1.46557300  7.22398829  3.48309647  1
  F  F20  1  5.59496843  8.59694023  4.76875153  1
  F  F21  1  1.38802349  8.32586188  0.88664025  1
  F  F22  1  7.34404551  0.40620712  0.88664025  1
  F  F23  1  3.13710057  0.13512877  4.76875153  1
  F  F24  1  7.26649600  1.50808071  3.48309647  1
  F  F25  1  4.50116327  1.22893393  1.66352953  1
  F  F26  1  0.40620712  1.38802349  5.32380375  1
  F  F27  1  1.50808071  1.46557300  2.72734753  1
  F  F28  1  2.85795379  2.90046150  0.37787447  1
  F  F29  1  3.95982738  2.97801101  3.99186225  1
  F  F30  1  8.59694023  3.13710057  1.44169247  1
  F  F31  1  5.83160750  2.85795379  5.83256953  1
  F  F32  1  1.22893393  4.23090573  4.54691447  1
  F  F33  1  5.75405799  3.95982738  2.21858175  1
  F  F34  1  2.97801101  4.77224162  2.21858175  1
  F  F35  1  7.50313507  4.50116327  4.54691447  1
  F  F36  1  2.90046150  5.87411521  5.83256953  1
  F  F37  1  0.13512877  5.59496843  1.44169247  1
  F  F38  1  4.77224162  5.75405799  3.99186225  1
  F  F39  1  5.87411521  5.83160750  0.37787447  1
[/CIF]
