# generated using pymatgen
data_Li3FeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97125771
_cell_length_b   8.37993507
_cell_length_c   9.49628122
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FeF6
_chemical_formula_sum   'Li12 Fe4 F24'
_cell_volume   395.60383987
_cell_formula_units_Z   4
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  0.49667038  0.44885770  0.10542783  1
  Li  Li1  1  0.00722770  0.86101116  0.12419156  1
  Li  Li2  1  0.50024919  0.04975744  0.14582698  1
  Li  Li3  1  0.00024919  0.54975744  0.35417302  1
  Li  Li4  1  0.50722770  0.36101116  0.37580844  1
  Li  Li5  1  0.99667038  0.94885770  0.39457217  1
  Li  Li6  1  0.49667038  0.05114230  0.60542783  1
  Li  Li7  1  0.00722770  0.63898884  0.62419156  1
  Li  Li8  1  0.50024919  0.45024256  0.64582698  1
  Li  Li9  1  0.00024919  0.95024256  0.85417302  1
  Li  Li10  1  0.50722770  0.13898884  0.87580844  1
  Li  Li11  1  0.99667038  0.55114230  0.89457217  1
  Fe  Fe12  1  0.99918000  0.24150223  0.12910973  1
  Fe  Fe13  1  0.49918000  0.74150223  0.37089027  1
  Fe  Fe14  1  0.99918000  0.25849777  0.62910973  1
  Fe  Fe15  1  0.49918000  0.75849777  0.87089027  1
  F  F16  1  0.82251267  0.08079255  0.00860914  1
  F  F17  1  0.33106065  0.24502428  0.02318549  1
  F  F18  1  0.84092826  0.40898545  0.02101853  1
  F  F19  1  0.14742321  0.05741902  0.22993392  1
  F  F20  1  0.67813195  0.23145573  0.24187717  1
  F  F21  1  0.18382699  0.38990321  0.25269931  1
  F  F22  1  0.68382699  0.88990321  0.24730069  1
  F  F23  1  0.17813195  0.73145573  0.25812283  1
  F  F24  1  0.64742321  0.55741902  0.27006608  1
  F  F25  1  0.34092826  0.90898545  0.47898147  1
  F  F26  1  0.83106065  0.74502428  0.47681451  1
  F  F27  1  0.32251267  0.58079255  0.49139086  1
  F  F28  1  0.82251267  0.41920745  0.50860914  1
  F  F29  1  0.33106065  0.25497572  0.52318549  1
  F  F30  1  0.84092826  0.09101455  0.52101853  1
  F  F31  1  0.14742321  0.44258098  0.72993392  1
  F  F32  1  0.67813195  0.26854427  0.74187717  1
  F  F33  1  0.18382699  0.11009679  0.75269931  1
  F  F34  1  0.68382699  0.61009679  0.74730069  1
  F  F35  1  0.17813195  0.76854427  0.75812283  1
  F  F36  1  0.64742321  0.94258098  0.77006608  1
  F  F37  1  0.34092826  0.59101455  0.97898147  1
  F  F38  1  0.83106065  0.75497572  0.97681451  1
  F  F39  1  0.32251267  0.91920745  0.99139086  1
