# generated using pymatgen
data_Li3FeOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94262863
_cell_length_b   5.95333705
_cell_length_c   8.63390968
_cell_angle_alpha   89.99833207
_cell_angle_beta   89.82794376
_cell_angle_gamma   90.00027778
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FeOF3
_chemical_formula_sum   'Li12 Fe4 O4 F12'
_cell_volume   305.45314760
_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  0.74999900  0.24999700  0.25000000  1
  Li  Li1  1  0.25000100  0.75000300  0.75000000  1
  Li  Li2  1  0.25000000  0.75000100  0.24999900  1
  Li  Li3  1  0.75000100  0.24999900  0.75000100  1
  Li  Li4  1  0.75000100  0.75000200  0.25000000  1
  Li  Li5  1  0.24999900  0.24999700  0.75000000  1
  Li  Li6  1  0.25000000  0.24999800  0.25000000  1
  Li  Li7  1  0.75000000  0.75000300  0.75000000  1
  Li  Li8  1  0.00000000  0.50000000  0.50000000  1
  Li  Li9  1  0.50000000  0.00000000  0.00000000  1
  Li  Li10  1  0.00000000  0.00000000  0.50000000  1
  Li  Li11  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe12  1  0.49999900  0.50000100  0.50000300  1
  Fe  Fe13  1  0.00000000  0.49999600  0.99999900  1
  Fe  Fe14  1  0.99999700  0.99999500  0.99999900  1
  Fe  Fe15  1  0.49999900  0.00000300  0.50000100  1
  O  O16  1  0.71917100  0.24999800  0.50115200  1
  O  O17  1  0.21918600  0.75000700  0.00113700  1
  O  O18  1  0.28082700  0.75000300  0.49884700  1
  O  O19  1  0.78081800  0.24999600  0.99886400  1
  F  F20  1  0.77725900  0.75001100  0.50505600  1
  F  F21  1  0.27726200  0.24998700  0.00505300  1
  F  F22  1  0.22274000  0.24998700  0.49494300  1
  F  F23  1  0.72273800  0.75001200  0.99494700  1
  F  F24  1  0.99745400  0.50087100  0.25914300  1
  F  F25  1  0.49744200  0.00089100  0.75913500  1
  F  F26  1  0.00255300  0.00089100  0.74086600  1
  F  F27  1  0.50253500  0.50088000  0.24085300  1
  F  F28  1  0.99744900  0.99911100  0.25913400  1
  F  F29  1  0.49746400  0.49912000  0.75914600  1
  F  F30  1  0.00254700  0.49912700  0.74085700  1
  F  F31  1  0.50255700  0.99910900  0.24086600  1
