# generated using pymatgen
data_Li2FeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01292205
_cell_length_b   5.01292205
_cell_length_c   4.48559068
_cell_angle_alpha   88.44282946
_cell_angle_beta   88.44282946
_cell_angle_gamma   120.31668006
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeF6
_chemical_formula_sum   'Li2 Fe1 F6'
_cell_volume   97.16030708
_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  0.31761500  0.68238500  0.50000000  1
  Li  Li1  1  0.68238500  0.31761500  0.50000000  1
  Fe  Fe2  1  0.00000000  0.00000000  0.00000000  1
  F  F3  1  0.00878500  0.31950000  0.74740400  1
  F  F4  1  0.99121500  0.68050000  0.25259600  1
  F  F5  1  0.31950000  0.00878500  0.74740400  1
  F  F6  1  0.29218600  0.29218600  0.22191200  1
  F  F7  1  0.68050000  0.99121500  0.25259600  1
  F  F8  1  0.70781400  0.70781400  0.77808800  1
