# generated using pymatgen
data_LiFe2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73531875
_cell_length_b   4.73531875
_cell_length_c   18.44756911
_cell_angle_alpha   89.94018508
_cell_angle_beta   89.94018508
_cell_angle_gamma   90.00061601
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2OF5
_chemical_formula_sum   'Li4 Fe8 O4 F20'
_cell_volume   413.65388642
_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  0.00842000  0.00033900  0.99825800  1
  Li  Li1  1  0.00033900  0.00842000  0.49825800  1
  Li  Li2  1  0.50801600  0.49978200  0.24821900  1
  Li  Li3  1  0.49978200  0.50801600  0.74821900  1
  Fe  Fe4  1  0.97689100  0.02099100  0.16634600  1
  Fe  Fe5  1  0.01378600  0.00982200  0.33888100  1
  Fe  Fe6  1  0.02099100  0.97689100  0.66634600  1
  Fe  Fe7  1  0.00982100  0.01378600  0.83888100  1
  Fe  Fe8  1  0.48869000  0.51208100  0.58888200  1
  Fe  Fe9  1  0.51208100  0.48869000  0.08888200  1
  Fe  Fe10  1  0.47958400  0.47634000  0.41631500  1
  Fe  Fe11  1  0.47634000  0.47958400  0.91631500  1
  O  O12  1  0.19972200  0.20005500  0.41316000  1
  O  O13  1  0.20005500  0.19972200  0.91316000  1
  O  O14  1  0.30140800  0.70112300  0.66317100  1
  O  O15  1  0.70112300  0.30140800  0.16317100  1
  F  F16  1  0.20025500  0.19907400  0.08455900  1
  F  F17  1  0.19907400  0.20025500  0.58455900  1
  F  F18  1  0.19346500  0.19010500  0.25042500  1
  F  F19  1  0.19010500  0.19346500  0.75042500  1
  F  F20  1  0.31550900  0.68691000  0.00205100  1
  F  F21  1  0.30958700  0.69285500  0.50040400  1
  F  F22  1  0.29070300  0.71111500  0.16249000  1
  F  F23  1  0.29989100  0.70095200  0.83443500  1
  F  F24  1  0.30292600  0.69807000  0.33398200  1
  F  F25  1  0.70095200  0.29989100  0.33443500  1
  F  F26  1  0.69807000  0.30292600  0.83398200  1
  F  F27  1  0.71111500  0.29070300  0.66249000  1
  F  F28  1  0.69285500  0.30958700  0.00040400  1
  F  F29  1  0.68691000  0.31550900  0.50205100  1
  F  F30  1  0.81595900  0.81287500  0.25204300  1
  F  F31  1  0.81287500  0.81595900  0.75204300  1
  F  F32  1  0.80178400  0.80148900  0.08388400  1
  F  F33  1  0.78947000  0.78995500  0.41249600  1
  F  F34  1  0.80148900  0.80178400  0.58388400  1
  F  F35  1  0.78995500  0.78947000  0.91249600  1
