# generated using pymatgen
data_LiFe6(OF2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67803461
_cell_length_b   5.83379116
_cell_length_c   5.74438460
_cell_angle_alpha   71.42838189
_cell_angle_beta   70.41852566
_cell_angle_gamma   70.77402626
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe6(OF2)4
_chemical_formula_sum   'Li1 Fe6 O4 F8'
_cell_volume   222.54892117
_cell_formula_units_Z   1
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  0.15967700  0.01884300  0.65137000  1
  Fe  Fe1  1  0.84090100  0.65043500  0.67543600  1
  Fe  Fe2  1  0.66920000  0.34441400  0.31103700  1
  Fe  Fe3  1  0.35312700  0.64520000  0.64133800  1
  Fe  Fe4  1  0.15331900  0.37058000  0.32538600  1
  Fe  Fe5  1  0.50024800  0.95895600  0.03082200  1
  Fe  Fe6  1  0.97752400  0.00133700  0.04994900  1
  O  O7  1  0.32573200  0.97823800  0.35248600  1
  O  O8  1  0.67320200  0.63907400  0.01549100  1
  O  O9  1  0.00341700  0.31062900  0.69963500  1
  O  O10  1  0.99950900  0.69927400  0.33134400  1
  F  F11  1  0.66927400  0.01989900  0.63601600  1
  F  F12  1  0.33200200  0.35708800  0.96036700  1
  F  F13  1  0.30568700  0.89601900  0.89344000  1
  F  F14  1  0.96237600  0.25683200  0.24207200  1
  F  F15  1  0.64372700  0.55769000  0.55094000  1
  F  F16  1  0.04002100  0.76388600  0.78700500  1
  F  F17  1  0.37468100  0.42230000  0.40692700  1
  F  F18  1  0.68304300  0.10930400  0.09519300  1
