# generated using pymatgen
data_LiFe3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18370000
_cell_length_b   6.24976411
_cell_length_c   6.27619205
_cell_angle_alpha   91.82181191
_cell_angle_beta   91.42005312
_cell_angle_gamma   91.54331646
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe3OF5
_chemical_formula_sum   'Li2 Fe6 O2 F10'
_cell_volume   242.26355348
_cell_formula_units_Z   2
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  0.50738600  0.49239400  0.50052700  1
  Li  Li1  1  0.99752300  0.98516600  0.98696200  1
  Fe  Fe2  1  0.27220200  0.08754500  0.55784200  1
  Fe  Fe3  1  0.93957500  0.45259200  0.76000200  1
  Fe  Fe4  1  0.41171900  0.73257900  0.92410900  1
  Fe  Fe5  1  0.56364300  0.23938700  0.09654300  1
  Fe  Fe6  1  0.06703400  0.57667700  0.23618700  1
  Fe  Fe7  1  0.74287100  0.94692300  0.43499600  1
  O  O8  1  0.09224400  0.67501100  0.93629100  1
  O  O9  1  0.53602800  0.17779500  0.40420600  1
  F  F10  1  0.31210900  0.08684000  0.90552600  1
  F  F11  1  0.93496700  0.10444800  0.68851600  1
  F  F12  1  0.60269600  0.44170800  0.82314000  1
  F  F13  1  0.17370400  0.41818200  0.52052100  1
  F  F14  1  0.81386600  0.61762000  0.45728800  1
  F  F15  1  0.45454600  0.79928600  0.60223800  1
  F  F16  1  0.91083500  0.29402900  0.08890500  1
  F  F17  1  0.41773500  0.54286700  0.20023300  1
  F  F18  1  0.06782400  0.92788400  0.32165500  1
  F  F19  1  0.68149500  0.90106700  0.05431200  1
