# generated using pymatgen
data_LiFe2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30506800
_cell_length_b   5.23378200
_cell_length_c   10.64647678
_cell_angle_alpha   87.61159241
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2OF3
_chemical_formula_sum   'Li4 Fe8 O4 F12'
_cell_volume   351.02162477
_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  0.50000000  0.97736300  0.83198900  1
  Li  Li1  1  0.00000000  0.03830500  0.67528500  1
  Li  Li2  1  0.00000000  0.91459200  0.30298600  1
  Li  Li3  1  0.50000000  0.06216700  0.17338500  1
  Fe  Fe4  1  0.00000000  0.50964600  0.00961800  1
  Fe  Fe5  1  0.50000000  0.49742300  0.99131800  1
  Fe  Fe6  1  0.74580100  0.51399300  0.74016200  1
  Fe  Fe7  1  0.25419900  0.51399300  0.74016200  1
  Fe  Fe8  1  0.00000000  0.50453700  0.50124300  1
  Fe  Fe9  1  0.50000000  0.02991100  0.48906000  1
  Fe  Fe10  1  0.74194500  0.47645100  0.26433500  1
  Fe  Fe11  1  0.25805500  0.47645100  0.26433500  1
  O  O12  1  0.50000000  0.33818600  0.82397500  1
  O  O13  1  0.00000000  0.68224600  0.66077900  1
  O  O14  1  0.50000000  0.25725900  0.33077200  1
  O  O15  1  0.00000000  0.64604800  0.18210300  1
  F  F16  1  0.74210100  0.74711600  0.91219600  1
  F  F17  1  0.25789900  0.74711600  0.91219600  1
  F  F18  1  0.00000000  0.29413000  0.84631200  1
  F  F19  1  0.50000000  0.80724700  0.66145500  1
  F  F20  1  0.76705900  0.23042500  0.58861400  1
  F  F21  1  0.23294100  0.23042500  0.58861400  1
  F  F22  1  0.76217800  0.76412100  0.40779800  1
  F  F23  1  0.23782200  0.76412100  0.40779800  1
  F  F24  1  0.00000000  0.24957500  0.35752500  1
  F  F25  1  0.50000000  0.70912800  0.15815400  1
  F  F26  1  0.73023700  0.25901300  0.08891400  1
  F  F27  1  0.26976300  0.25901300  0.08891400  1
