# generated using pymatgen
data_Li4FeOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83014888
_cell_length_b   5.83014888
_cell_length_c   13.27038747
_cell_angle_alpha   89.97932015
_cell_angle_beta   89.97932015
_cell_angle_gamma   120.13504844
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4FeOF5
_chemical_formula_sum   'Li12 Fe3 O3 F15'
_cell_volume   390.10435355
_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  0.33370900  0.01152400  0.65412800  1
  Li  Li1  1  0.33381500  0.00677100  0.94993700  1
  Li  Li2  1  0.31794600  0.31794600  0.49688900  1
  Li  Li3  1  0.01152400  0.33370900  0.65412800  1
  Li  Li4  1  0.00677100  0.33381500  0.94993700  1
  Li  Li5  1  0.66602200  0.66602200  0.34314400  1
  Li  Li6  1  0.65498700  0.65498700  0.66029500  1
  Li  Li7  1  0.66103900  0.66103900  0.95415100  1
  Li  Li8  1  0.01174800  0.66578700  0.49784800  1
  Li  Li9  1  0.00015500  0.66705600  0.79268900  1
  Li  Li10  1  0.66578700  0.01174800  0.49784800  1
  Li  Li11  1  0.66705600  0.00015500  0.79268900  1
  Fe  Fe12  1  0.33423000  0.33423000  0.14885300  1
  Fe  Fe13  1  0.00061100  0.66728800  0.14909200  1
  Fe  Fe14  1  0.66728800  0.00061100  0.14909200  1
  O  O15  1  0.33427000  0.00117700  0.13690600  1
  O  O16  1  0.00117700  0.33427000  0.13690600  1
  O  O17  1  0.66784700  0.66784700  0.12645200  1
  F  F18  1  0.33298500  0.99734600  0.49595300  1
  F  F19  1  0.33406500  0.95975500  0.81364600  1
  F  F20  1  0.36510100  0.36510100  0.28897100  1
  F  F21  1  0.33751500  0.33751500  0.64336200  1
  F  F22  1  0.32698000  0.32698000  0.99021300  1
  F  F23  1  0.99734600  0.33298500  0.49595300  1
  F  F24  1  0.95975500  0.33406500  0.81364600  1
  F  F25  1  0.66863400  0.66863400  0.48052700  1
  F  F26  1  0.70854900  0.70854900  0.81705200  1
  F  F27  1  0.96671700  0.66559400  0.28921900  1
  F  F28  1  0.99402500  0.66656600  0.64962000  1
  F  F29  1  0.00782700  0.66652800  0.99040800  1
  F  F30  1  0.66559400  0.96671700  0.28921900  1
  F  F31  1  0.66656600  0.99402500  0.64962000  1
  F  F32  1  0.66652800  0.00782700  0.99040800  1
