# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06967402
_cell_length_b   5.06967402
_cell_length_c   4.83185900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.73318338
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li2 Fe2 F6'
_cell_volume   108.89513820
_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  0.49857200  0.50142800  0.25000000  1
  Li  Li1  1  0.50142800  0.49857200  0.75000000  1
  Fe  Fe2  1  0.16544200  0.83455800  0.75000000  1
  Fe  Fe3  1  0.83455800  0.16544200  0.25000000  1
  F  F4  1  0.81750500  0.81750500  0.50000000  1
  F  F5  1  0.18614400  0.50807600  0.50055400  1
  F  F6  1  0.49192400  0.81385600  0.99944600  1
  F  F7  1  0.50807600  0.18614400  0.49944600  1
  F  F8  1  0.81385600  0.49192400  0.00055400  1
  F  F9  1  0.18249500  0.18249500  0.00000000  1
