# generated using pymatgen
data_Li3Fe3OF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18517726
_cell_length_b   6.18517726
_cell_length_c   10.74862704
_cell_angle_alpha   72.90544489
_cell_angle_beta   72.90544489
_cell_angle_gamma   58.84013761
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe3OF7
_chemical_formula_sum   'Li6 Fe6 O2 F14'
_cell_volume   331.23596755
_cell_formula_units_Z   2
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  0.99234900  0.50476900  0.00029600  1
  Li  Li1  1  0.56331800  0.55670600  0.31024200  1
  Li  Li2  1  0.64350100  0.11587500  0.12937000  1
  Li  Li3  1  0.11587500  0.64350100  0.62937000  1
  Li  Li4  1  0.50476900  0.99234900  0.50029600  1
  Li  Li5  1  0.55670600  0.56331800  0.81024200  1
  Fe  Fe6  1  0.30343600  0.80918700  0.06714100  1
  Fe  Fe7  1  0.06027800  0.57553400  0.30571300  1
  Fe  Fe8  1  0.06026600  0.05390100  0.30809000  1
  Fe  Fe9  1  0.05390100  0.06026600  0.80809000  1
  Fe  Fe10  1  0.57553400  0.06027900  0.80571300  1
  Fe  Fe11  1  0.80918700  0.30343600  0.56714100  1
  O  O12  1  0.97333300  0.91153600  0.18904100  1
  O  O13  1  0.91153600  0.97333300  0.68904100  1
  F  F14  1  0.20530400  0.67982500  0.43054300  1
  F  F15  1  0.43650700  0.92026400  0.19845400  1
  F  F16  1  0.69734800  0.65336700  0.44212400  1
  F  F17  1  0.17900300  0.20603900  0.42494000  1
  F  F18  1  0.44953000  0.43889500  0.19428000  1
  F  F19  1  0.93119300  0.43163900  0.19662300  1
  F  F20  1  0.69925700  0.19784000  0.42814600  1
  F  F21  1  0.19784000  0.69925700  0.92814600  1
  F  F22  1  0.43163900  0.93119300  0.69662300  1
  F  F23  1  0.20603900  0.17900300  0.92494000  1
  F  F24  1  0.65336700  0.69734800  0.94212400  1
  F  F25  1  0.43889500  0.44953000  0.69428000  1
  F  F26  1  0.92026400  0.43650700  0.69845400  1
  F  F27  1  0.67982500  0.20530400  0.93054300  1
