# generated using pymatgen
data_Li4Fe2OF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.10766416
_cell_length_b   5.10766416
_cell_length_c   14.02581461
_cell_angle_alpha   89.90339477
_cell_angle_beta   89.90339477
_cell_angle_gamma   60.10105694
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Fe2OF8
_chemical_formula_sum   'Li8 Fe4 O2 F16'
_cell_volume   317.20784403
_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  0.33114100  0.32017900  0.30966200  1
  Li  Li1  1  0.34282900  0.33145200  0.01596500  1
  Li  Li2  1  0.32017900  0.33114100  0.80966200  1
  Li  Li3  1  0.33145200  0.34282900  0.51596500  1
  Li  Li4  1  0.64880300  0.68703300  0.18986000  1
  Li  Li5  1  0.68703300  0.64880300  0.68986000  1
  Li  Li6  1  0.67598900  0.66556800  0.98390900  1
  Li  Li7  1  0.66556800  0.67598900  0.48390900  1
  Fe  Fe8  1  0.01512700  0.00388900  0.14913200  1
  Fe  Fe9  1  0.00388900  0.01512700  0.64913200  1
  Fe  Fe10  1  0.01605000  0.99698400  0.35043800  1
  Fe  Fe11  1  0.99698400  0.01605000  0.85043800  1
  O  O12  1  0.27034000  0.00272200  0.24971900  1
  O  O13  1  0.00272200  0.27034000  0.74971900  1
  F  F14  1  0.70101200  0.98250900  0.75161000  1
  F  F15  1  0.66161000  0.02021700  0.41235500  1
  F  F16  1  0.65423100  0.32133300  0.91833100  1
  F  F17  1  0.33194000  0.01839700  0.91750000  1
  F  F18  1  0.01839700  0.33194000  0.41750000  1
  F  F19  1  0.32133300  0.65423100  0.41833100  1
  F  F20  1  0.97862000  0.34746700  0.07903500  1
  F  F21  1  0.68548800  0.29901700  0.24744200  1
  F  F22  1  0.02021700  0.66161000  0.91235500  1
  F  F23  1  0.67066500  0.34706500  0.58151400  1
  F  F24  1  0.98250900  0.70101200  0.25161000  1
  F  F25  1  0.97505500  0.68256800  0.58664700  1
  F  F26  1  0.68256800  0.97505500  0.08664700  1
  F  F27  1  0.34706500  0.67066500  0.08151400  1
  F  F28  1  0.29901700  0.68548800  0.74744200  1
  F  F29  1  0.34746700  0.97862000  0.57903500  1
