# generated using pymatgen
data_Li4FeOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15430159
_cell_length_b   5.15430159
_cell_length_c   14.43377800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999477
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4FeOF5
_chemical_formula_sum   'Li12 Fe3 O3 F15'
_cell_volume   332.08581819
_cell_formula_units_Z   3
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  0.12233500  0.55222200  0.49796200  1
  Li  Li1  1  0.44777800  0.57011300  0.83129500  1
  Li  Li2  1  0.77093800  0.55735300  0.17346200  1
  Li  Li3  1  0.42988700  0.87766500  0.16462900  1
  Li  Li4  1  0.79370100  0.88610400  0.00096300  1
  Li  Li5  1  0.76430500  0.91708200  0.50803500  1
  Li  Li6  1  0.08291800  0.84722300  0.84136900  1
  Li  Li7  1  0.11389600  0.90759700  0.33429700  1
  Li  Li8  1  0.78641500  0.22906200  0.84012900  1
  Li  Li9  1  0.09240300  0.20629900  0.66763000  1
  Li  Li10  1  0.15277700  0.23569500  0.17470200  1
  Li  Li11  1  0.44264700  0.21358500  0.50679500  1
  Fe  Fe12  1  0.77998100  0.52973100  0.66020800  1
  Fe  Fe13  1  0.74975000  0.22001900  0.32687400  1
  Fe  Fe14  1  0.47026900  0.25025000  0.99354100  1
  O  O15  1  0.73727800  0.53969200  0.91888200  1
  O  O16  1  0.80241400  0.26272200  0.58554900  1
  O  O17  1  0.46030800  0.19758600  0.25221500  1
  F  F18  1  0.07950700  0.52909100  0.75695400  1
  F  F19  1  0.08608200  0.54399700  0.24434500  1
  F  F20  1  0.45600300  0.54208400  0.57767800  1
  F  F21  1  0.47090900  0.55041600  0.09028700  1
  F  F22  1  0.44958400  0.92049300  0.42362100  1
  F  F23  1  0.45791600  0.91391800  0.91101100  1
  F  F24  1  0.81349400  0.55170600  0.41320700  1
  F  F25  1  0.80534100  0.86671500  0.74882600  1
  F  F26  1  0.81118900  0.92221700  0.24889600  1
  F  F27  1  0.73821100  0.18650600  0.07987400  1
  F  F28  1  0.07778300  0.88897200  0.58223000  1
  F  F29  1  0.13328500  0.93862600  0.08215900  1
  F  F30  1  0.11102800  0.18881100  0.91556300  1
  F  F31  1  0.06137400  0.19465900  0.41549200  1
  F  F32  1  0.44829400  0.26178900  0.74654000  1
