# generated using pymatgen
data_Li3FeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.15096853
_cell_length_b   9.15096853
_cell_length_c   9.22334803
_cell_angle_alpha   87.51469692
_cell_angle_beta   87.51469692
_cell_angle_gamma   34.21634107
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FeF6
_chemical_formula_sum   'Li12 Fe4 F24'
_cell_volume   433.86858635
_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  0.16852300  0.66830600  0.44795300  1
  Li  Li1  1  0.66830600  0.16852300  0.94795300  1
  Li  Li2  1  0.61003600  0.04005000  0.32271400  1
  Li  Li3  1  0.16793400  0.60752600  0.10862400  1
  Li  Li4  1  0.04005000  0.61003600  0.82271400  1
  Li  Li5  1  0.60752600  0.16793400  0.60862400  1
  Li  Li6  1  0.39247400  0.83206600  0.39137600  1
  Li  Li7  1  0.95995000  0.38996400  0.17728600  1
  Li  Li8  1  0.83206600  0.39247400  0.89137600  1
  Li  Li9  1  0.38996400  0.95995000  0.67728600  1
  Li  Li10  1  0.33169400  0.83147700  0.05204700  1
  Li  Li11  1  0.83147700  0.33169400  0.55204700  1
  Fe  Fe12  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe13  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe14  1  0.80049400  0.19950600  0.25000000  1
  Fe  Fe15  1  0.19950600  0.80049400  0.75000000  1
  F  F16  1  0.74151400  0.22367400  0.46342200  1
  F  F17  1  0.99525300  0.85269700  0.26381800  1
  F  F18  1  0.50031200  0.32562300  0.21984400  1
  F  F19  1  0.22367400  0.74151400  0.96342200  1
  F  F20  1  0.85269700  0.99525300  0.76381800  1
  F  F21  1  0.32562300  0.50031200  0.71984400  1
  F  F22  1  0.33403600  0.33008700  0.47139700  1
  F  F23  1  0.33008700  0.33403600  0.97139700  1
  F  F24  1  0.82730100  0.84153600  0.01392900  1
  F  F25  1  0.84153600  0.82730100  0.51392900  1
  F  F26  1  0.93283200  0.57846600  0.29538400  1
  F  F27  1  0.42153400  0.06716800  0.20461600  1
  F  F28  1  0.57846600  0.93283200  0.79538400  1
  F  F29  1  0.06716800  0.42153400  0.70461600  1
  F  F30  1  0.15846400  0.17269900  0.48607100  1
  F  F31  1  0.17269900  0.15846400  0.98607100  1
  F  F32  1  0.66991300  0.66596400  0.02860300  1
  F  F33  1  0.66596400  0.66991300  0.52860300  1
  F  F34  1  0.67437700  0.49968800  0.28015600  1
  F  F35  1  0.14730300  0.00474700  0.23618200  1
  F  F36  1  0.77632600  0.25848600  0.03657800  1
  F  F37  1  0.49968800  0.67437700  0.78015600  1
  F  F38  1  0.00474700  0.14730300  0.73618200  1
  F  F39  1  0.25848600  0.77632600  0.53657800  1
