# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07531497
_cell_length_b   5.07531497
_cell_length_c   7.16903200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   146.23844267
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li2 Fe2 F6'
_cell_volume   102.62580236
_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  0.00000000  1
  Li  Li1  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe2  1  0.75097400  0.24902600  0.25000000  1
  Fe  Fe3  1  0.24902600  0.75097400  0.75000000  1
  F  F4  1  0.90550200  0.09449800  0.75000000  1
  F  F5  1  0.64338500  0.35661500  0.56942800  1
  F  F6  1  0.64338500  0.35661500  0.93057200  1
  F  F7  1  0.35661500  0.64338500  0.43057200  1
  F  F8  1  0.09449800  0.90550200  0.25000000  1
  F  F9  1  0.35661500  0.64338500  0.06942800  1
