# generated using pymatgen
data_LiFeOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32744600
_cell_length_b   5.74147200
_cell_length_c   11.95405700
_cell_angle_alpha   90.00070074
_cell_angle_beta   89.99944845
_cell_angle_gamma   89.99953665
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeOF2
_chemical_formula_sum   'Li4 Fe4 O4 F8'
_cell_volume   228.37554127
_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  0.49999700  0.49999600  0.00000600  1
  Li  Li1  1  0.99999700  0.99999600  0.00000600  1
  Li  Li2  1  0.99999600  0.00000200  0.49999400  1
  Li  Li3  1  0.49999600  0.50000100  0.49999400  1
  Fe  Fe4  1  0.49999900  0.83124100  0.75000300  1
  Fe  Fe5  1  0.50002900  0.16872100  0.24999700  1
  Fe  Fe6  1  0.99999800  0.33124100  0.75000100  1
  Fe  Fe7  1  0.00003200  0.66872000  0.24999800  1
  O  O8  1  0.00003100  0.99846200  0.24999700  1
  O  O9  1  0.50002900  0.49846700  0.24999700  1
  O  O10  1  0.49999900  0.50149600  0.75000200  1
  O  O11  1  0.99999900  0.00150300  0.75000200  1
  F  F12  1  0.00004300  0.33342300  0.58445100  1
  F  F13  1  0.50004400  0.83342600  0.58445000  1
  F  F14  1  0.99999500  0.33341900  0.91555400  1
  F  F15  1  0.49999700  0.83342200  0.91555300  1
  F  F16  1  0.50001300  0.16656300  0.41554700  1
  F  F17  1  0.00001000  0.66656500  0.41554600  1
  F  F18  1  0.49999700  0.16657100  0.08445000  1
  F  F19  1  0.99999800  0.66657200  0.08445000  1
