# generated using pymatgen
data_Li3FeO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59196900
_cell_length_b   8.78852200
_cell_length_c   9.70746800
_cell_angle_alpha   90.00039035
_cell_angle_beta   90.00221215
_cell_angle_gamma   90.00091241
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FeO2F
_chemical_formula_sum   'Li12 Fe4 O8 F4'
_cell_volume   306.44630665
_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  0.49997800  0.10084500  0.34094300  1
  Li  Li1  1  0.00001500  0.39915900  0.84095200  1
  Li  Li2  1  0.99998400  0.60084100  0.15905900  1
  Li  Li3  1  0.50002100  0.89916000  0.65905400  1
  Li  Li4  1  0.00001200  0.14327300  0.57777400  1
  Li  Li5  1  0.49997800  0.35677700  0.07777100  1
  Li  Li6  1  0.50002000  0.64326300  0.92222300  1
  Li  Li7  1  0.99999300  0.85677500  0.42222800  1
  Li  Li8  1  0.99996300  0.16332800  0.17727100  1
  Li  Li9  1  0.50001000  0.33665700  0.67727500  1
  Li  Li10  1  0.49999100  0.66335000  0.32272800  1
  Li  Li11  1  0.00003600  0.83665600  0.82272500  1
  Fe  Fe12  1  0.00000100  0.61736800  0.59539500  1
  Fe  Fe13  1  0.49997400  0.88260800  0.09544000  1
  Fe  Fe14  1  0.50002300  0.11741100  0.90463600  1
  Fe  Fe15  1  0.99999900  0.38258400  0.40456400  1
  O  O16  1  0.49996100  0.10498300  0.11614300  1
  O  O17  1  0.00000500  0.39500300  0.61611300  1
  O  O18  1  0.99999500  0.60496400  0.38384600  1
  O  O19  1  0.50003800  0.89503500  0.88386800  1
  O  O20  1  0.99998900  0.16720700  0.37989800  1
  O  O21  1  0.50001400  0.33278300  0.87990900  1
  O  O22  1  0.49998700  0.66723600  0.12009500  1
  O  O23  1  0.00001100  0.83274000  0.62009400  1
  F  F24  1  0.50002100  0.11707100  0.65207900  1
  F  F25  1  0.99998700  0.38292200  0.15208200  1
  F  F26  1  0.00001100  0.61706100  0.84792400  1
  F  F27  1  0.49998300  0.88293900  0.34791000  1
