# generated using pymatgen
data_LiFe2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91209700
_cell_length_b   6.34362300
_cell_length_c   8.94423887
_cell_angle_alpha   84.29267104
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2F5
_chemical_formula_sum   'Li4 Fe8 F20'
_cell_volume   390.24052289
_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  0.11071000  0.99959800  0.19714600  1
  Li  Li1  1  0.38929000  0.49959800  0.19714600  1
  Li  Li2  1  0.61071000  0.50040200  0.80285400  1
  Li  Li3  1  0.88929000  0.00040200  0.80285400  1
  Fe  Fe4  1  0.63528900  0.98242800  0.14469000  1
  Fe  Fe5  1  0.86471100  0.48242800  0.14469000  1
  Fe  Fe6  1  0.63873000  0.23417800  0.47276600  1
  Fe  Fe7  1  0.13873000  0.26582200  0.52723400  1
  Fe  Fe8  1  0.86127000  0.73417800  0.47276600  1
  Fe  Fe9  1  0.36127000  0.76582200  0.52723400  1
  Fe  Fe10  1  0.13528900  0.51757200  0.85531000  1
  Fe  Fe11  1  0.36471100  0.01757200  0.85531000  1
  F  F12  1  0.33934000  0.98255700  0.09179100  1
  F  F13  1  0.89170700  0.16454200  0.13417300  1
  F  F14  1  0.16066000  0.48255700  0.09179100  1
  F  F15  1  0.60829300  0.66454200  0.13417300  1
  F  F16  1  0.56861100  0.26923000  0.25004000  1
  F  F17  1  0.93138900  0.76923000  0.25004000  1
  F  F18  1  0.32920400  0.48300200  0.41503400  1
  F  F19  1  0.90940000  0.38317300  0.39205900  1
  F  F20  1  0.17079600  0.98300200  0.41503400  1
  F  F21  1  0.59060000  0.88317300  0.39205900  1
  F  F22  1  0.40940000  0.11682700  0.60794100  1
  F  F23  1  0.82920400  0.01699800  0.58496600  1
  F  F24  1  0.09060000  0.61682700  0.60794100  1
  F  F25  1  0.67079600  0.51699800  0.58496600  1
  F  F26  1  0.06861100  0.23077000  0.74996000  1
  F  F27  1  0.43138900  0.73077000  0.74996000  1
  F  F28  1  0.39170700  0.33545800  0.86582700  1
  F  F29  1  0.83934000  0.51744300  0.90820900  1
  F  F30  1  0.10829300  0.83545800  0.86582700  1
  F  F31  1  0.66066000  0.01744300  0.90820900  1
