# generated using pymatgen
data_LiFeOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02313003
_cell_length_b   4.43537908
_cell_length_c   12.02754202
_cell_angle_alpha   90.02537430
_cell_angle_beta   87.70418607
_cell_angle_gamma   89.99672831
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeOF
_chemical_formula_sum   'Li4 Fe4 O4 F4'
_cell_volume   161.14456880
_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  0.49975400  0.74827300  0.00377500  1
  Li  Li1  1  0.49870600  0.74855200  0.75831400  1
  Li  Li2  1  0.49974000  0.74912700  0.50379500  1
  Li  Li3  1  0.50139600  0.74855000  0.24927300  1
  Fe  Fe4  1  0.01065700  0.24630700  0.12923000  1
  Fe  Fe5  1  0.98932300  0.24631400  0.87832800  1
  Fe  Fe6  1  0.98930100  0.24657500  0.62929100  1
  Fe  Fe7  1  0.01036600  0.24652500  0.37831100  1
  O  O8  1  0.49998300  0.24431600  0.00378800  1
  O  O9  1  0.47404500  0.24552200  0.75492200  1
  O  O10  1  0.49991000  0.24172900  0.50379000  1
  O  O11  1  0.52588900  0.24564400  0.25266600  1
  F  F12  1  0.99327800  0.74577200  0.87825800  1
  F  F13  1  0.99260100  0.74491100  0.62876900  1
  F  F14  1  0.00721600  0.74501800  0.37890500  1
  F  F15  1  0.00653800  0.74571000  0.12936200  1
