# generated using pymatgen
data_Li2FeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64148463
_cell_length_b   4.64148463
_cell_length_c   8.55805809
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeF6
_chemical_formula_sum   'Li4 Fe2 F12'
_cell_volume   184.36949382
_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  -0.00000000  -0.00000000  0.34545816  1
  Li  Li1  1  -0.00000000  -0.00000000  0.65454184  1
  Li  Li2  1  0.50000000  0.50000000  0.15454184  1
  Li  Li3  1  0.50000000  0.50000000  0.84545816  1
  Fe  Fe4  1  -0.00000000  -0.00000000  -0.00000000  1
  Fe  Fe5  1  0.50000000  0.50000000  0.50000000  1
  F  F6  1  0.18655250  0.81344750  0.84669785  1
  F  F7  1  0.18655250  0.81344750  0.15330215  1
  F  F8  1  0.20588691  0.79411309  0.50000000  1
  F  F9  1  0.29411309  0.29411309  -0.00000000  1
  F  F10  1  0.31344750  0.31344750  0.34669785  1
  F  F11  1  0.31344750  0.31344750  0.65330215  1
  F  F12  1  0.68655250  0.68655250  0.65330215  1
  F  F13  1  0.68655250  0.68655250  0.34669785  1
  F  F14  1  0.70588691  0.70588691  -0.00000000  1
  F  F15  1  0.79411309  0.20588691  0.50000000  1
  F  F16  1  0.81344750  0.18655250  0.15330215  1
  F  F17  1  0.81344750  0.18655250  0.84669785  1
