# generated using pymatgen
data_Li3Fe(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11444055
_cell_length_b   7.83277457
_cell_length_c   7.83277360
_cell_angle_alpha   98.56858537
_cell_angle_beta   102.13577243
_cell_angle_gamma   102.13577838
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe(OF)2
_chemical_formula_sum   'Li12 Fe4 O8 F8'
_cell_volume   293.72474535
_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  0.24999800  0.30851600  0.19148500  1
  Li  Li1  1  0.25000400  0.80851500  0.69148400  1
  Li  Li2  1  0.74999700  0.69148500  0.80851600  1
  Li  Li3  1  0.75000300  0.19148400  0.30851600  1
  Li  Li4  1  0.25000100  0.56994000  0.93005900  1
  Li  Li5  1  0.25000000  0.06994100  0.43006000  1
  Li  Li6  1  0.75000100  0.43005800  0.06994000  1
  Li  Li7  1  0.75000000  0.93005900  0.56994200  1
  Li  Li8  1  0.25000000  0.18663600  0.81336300  1
  Li  Li9  1  0.25000000  0.68663400  0.31336500  1
  Li  Li10  1  0.75000000  0.31336400  0.68663500  1
  Li  Li11  1  0.75000000  0.81336600  0.18663400  1
  Fe  Fe12  1  0.25000100  0.95135800  0.04864200  1
  Fe  Fe13  1  0.74999800  0.54864200  0.45136100  1
  Fe  Fe14  1  0.24999400  0.45135600  0.54864400  1
  Fe  Fe15  1  0.74999800  0.04864800  0.95135300  1
  O  O16  1  0.00710000  0.55466000  0.67776900  1
  O  O17  1  0.00709300  0.05466500  0.17776500  1
  O  O18  1  0.49290800  0.82223400  0.94533400  1
  O  O19  1  0.49289900  0.32223200  0.44534000  1
  O  O20  1  0.50710100  0.17776900  0.05466000  1
  O  O21  1  0.50709300  0.67776700  0.55466600  1
  O  O22  1  0.99290600  0.44533500  0.32223300  1
  O  O23  1  0.99290000  0.94534000  0.82223100  1
  F  F24  1  0.00907300  0.68819300  0.06469000  1
  F  F25  1  0.00908300  0.18820100  0.56469200  1
  F  F26  1  0.50907300  0.56469000  0.18819400  1
  F  F27  1  0.50908300  0.06469200  0.68820200  1
  F  F28  1  0.49091800  0.43530800  0.81179800  1
  F  F29  1  0.49092800  0.93530900  0.31180700  1
  F  F30  1  0.99091800  0.31179800  0.93530700  1
  F  F31  1  0.99092800  0.81180600  0.43531000  1
