# generated using pymatgen
data_Li3FeOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08458500
_cell_length_b   5.13199100
_cell_length_c   9.91296058
_cell_angle_alpha   78.59647654
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FeOF3
_chemical_formula_sum   'Li12 Fe4 O4 F12'
_cell_volume   303.43178636
_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  0.12318700  0.21764300  0.99617400  1
  Li  Li1  1  0.63177300  0.24944900  0.99281000  1
  Li  Li2  1  0.36822700  0.24944900  0.49281000  1
  Li  Li3  1  0.87681300  0.21764300  0.49617400  1
  Li  Li4  1  0.38435500  0.50000000  0.75000000  1
  Li  Li5  1  0.61564500  0.50000000  0.25000000  1
  Li  Li6  1  0.87681300  0.78235700  0.00382600  1
  Li  Li7  1  0.36822700  0.75055100  0.00719000  1
  Li  Li8  1  0.12318700  0.78235700  0.50382600  1
  Li  Li9  1  0.63177300  0.75055100  0.50719000  1
  Li  Li10  1  0.63495300  0.00000000  0.75000000  1
  Li  Li11  1  0.36504700  0.00000000  0.25000000  1
  Fe  Fe12  1  0.86830700  0.50000000  0.75000000  1
  Fe  Fe13  1  0.13169300  0.50000000  0.25000000  1
  Fe  Fe14  1  0.10242000  0.00000000  0.75000000  1
  Fe  Fe15  1  0.89758000  0.00000000  0.25000000  1
  O  O16  1  0.12696600  0.85955500  0.13086300  1
  O  O17  1  0.87303400  0.85955500  0.63086300  1
  O  O18  1  0.87303400  0.14044500  0.86913700  1
  O  O19  1  0.12696600  0.14044500  0.36913700  1
  F  F20  1  0.85343300  0.38948100  0.11887000  1
  F  F21  1  0.39326800  0.37181200  0.12087600  1
  F  F22  1  0.14656700  0.38948100  0.61887000  1
  F  F23  1  0.60673200  0.62818800  0.87912400  1
  F  F24  1  0.60673200  0.37181200  0.62087600  1
  F  F25  1  0.14656700  0.61051900  0.88113000  1
  F  F26  1  0.39326800  0.62818800  0.37912400  1
  F  F27  1  0.85343300  0.61051900  0.38113000  1
  F  F28  1  0.62574400  0.87765000  0.13003700  1
  F  F29  1  0.37425600  0.12235000  0.86996300  1
  F  F30  1  0.37425600  0.87765000  0.63003700  1
  F  F31  1  0.62574400  0.12235000  0.36996300  1
