# generated using pymatgen
data_LiFe2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57014600
_cell_length_b   8.01565300
_cell_length_c   10.11638500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2F7
_chemical_formula_sum   'Li4 Fe8 F28'
_cell_volume   613.85883759
_cell_formula_units_Z   4
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  0.36963300  0.61391600  0.14262200  1
  Li  Li1  1  0.86963300  0.11391600  0.35737800  1
  Li  Li2  1  0.13036700  0.61391600  0.64262200  1
  Li  Li3  1  0.63036700  0.11391600  0.85737800  1
  Fe  Fe4  1  0.95405200  0.78496600  0.10199300  1
  Fe  Fe5  1  0.31789600  0.04295300  0.11927200  1
  Fe  Fe6  1  0.81789600  0.54295300  0.38072800  1
  Fe  Fe7  1  0.45405200  0.28496600  0.39800700  1
  Fe  Fe8  1  0.54594800  0.78496600  0.60199300  1
  Fe  Fe9  1  0.18210400  0.04295300  0.61927200  1
  Fe  Fe10  1  0.68210400  0.54295300  0.88072800  1
  Fe  Fe11  1  0.04594800  0.28496600  0.89800700  1
  F  F12  1  0.80244700  0.75209800  0.95543500  1
  F  F13  1  0.13849600  0.92668400  0.01665200  1
  F  F14  1  0.12006300  0.61803300  0.12017100  1
  F  F15  1  0.52331300  0.09234100  0.02852400  1
  F  F16  1  0.94284700  0.95361300  0.22840500  1
  F  F17  1  0.88954800  0.34285800  0.30577200  1
  F  F18  1  0.78688000  0.65213600  0.21278600  1
  F  F19  1  0.28688000  0.15213600  0.28721400  1
  F  F20  1  0.38954800  0.84285800  0.19422800  1
  F  F21  1  0.44284700  0.45361300  0.27159500  1
  F  F22  1  0.02331300  0.59234100  0.47147600  1
  F  F23  1  0.62006300  0.11803300  0.37982900  1
  F  F24  1  0.63849600  0.42668400  0.48334800  1
  F  F25  1  0.30244700  0.25209800  0.54456500  1
  F  F26  1  0.69755300  0.75209800  0.45543500  1
  F  F27  1  0.36150400  0.92668400  0.51665200  1
  F  F28  1  0.37993700  0.61803300  0.62017100  1
  F  F29  1  0.97668700  0.09234100  0.52852400  1
  F  F30  1  0.55715300  0.95361300  0.72840500  1
  F  F31  1  0.61045200  0.34285800  0.80577200  1
  F  F32  1  0.71312000  0.65213600  0.71278600  1
  F  F33  1  0.21312000  0.15213600  0.78721400  1
  F  F34  1  0.11045200  0.84285800  0.69422800  1
  F  F35  1  0.05715300  0.45361300  0.77159500  1
  F  F36  1  0.47668700  0.59234100  0.97147600  1
  F  F37  1  0.87993700  0.11803300  0.87982900  1
  F  F38  1  0.86150400  0.42668400  0.98334800  1
  F  F39  1  0.19755300  0.25209800  0.04456500  1
