# generated using pymatgen
data_Li3Fe3OF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13134067
_cell_length_b   6.13134067
_cell_length_c   6.25406965
_cell_angle_alpha   60.32067009
_cell_angle_beta   60.32067009
_cell_angle_gamma   57.51812051
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe3OF7
_chemical_formula_sum   'Li3 Fe3 O1 F7'
_cell_volume   163.66612804
_cell_formula_units_Z   1
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  0.61784000  0.61784000  0.65099800  1
  Li  Li1  1  0.99627900  0.99627900  0.00652400  1
  Li  Li2  1  0.63005700  0.63005700  0.11047900  1
  Fe  Fe3  1  0.25047000  0.25047000  0.21311500  1
  Fe  Fe4  1  0.58766300  0.15181000  0.64045200  1
  Fe  Fe5  1  0.15181000  0.58766300  0.64045200  1
  O  O6  1  0.39507300  0.39507300  0.84667000  1
  F  F7  1  0.84278700  0.37922100  0.38629300  1
  F  F8  1  0.37922100  0.84278700  0.38629300  1
  F  F9  1  0.86318500  0.86318500  0.87962500  1
  F  F10  1  0.87997400  0.39499800  0.86546800  1
  F  F11  1  0.86981800  0.86981800  0.41483800  1
  F  F12  1  0.39499800  0.87997400  0.86546800  1
  F  F13  1  0.39082300  0.39082300  0.34332400  1
