# generated using pymatgen
data_Li3FeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13397048
_cell_length_b   5.13397048
_cell_length_c   9.52792200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000622
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FeF6
_chemical_formula_sum   'Li6 Fe2 F12'
_cell_volume   217.48811664
_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  0.66666700  0.33333300  0.46283400  1
  Li  Li1  1  0.66666700  0.33333300  0.75000000  1
  Li  Li2  1  0.33333300  0.66666700  0.25000000  1
  Li  Li3  1  0.33333300  0.66666700  0.53716600  1
  Li  Li4  1  0.33333300  0.66666700  0.96283400  1
  Li  Li5  1  0.66666700  0.33333300  0.03716600  1
  Fe  Fe6  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe7  1  0.00000000  0.00000000  0.00000000  1
  F  F8  1  0.30898500  0.97068100  0.39034600  1
  F  F9  1  0.33830300  0.02931900  0.89034600  1
  F  F10  1  0.33830300  0.30898500  0.60965400  1
  F  F11  1  0.30898500  0.33830300  0.10965400  1
  F  F12  1  0.69101500  0.02931900  0.60965400  1
  F  F13  1  0.66169700  0.97068100  0.10965400  1
  F  F14  1  0.97068100  0.30898500  0.89034600  1
  F  F15  1  0.02931900  0.33830300  0.39034600  1
  F  F16  1  0.69101500  0.66169700  0.89034600  1
  F  F17  1  0.66169700  0.69101500  0.39034600  1
  F  F18  1  0.02931900  0.69101500  0.10965400  1
  F  F19  1  0.97068100  0.66169700  0.60965400  1
