# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.70138593
_cell_length_b   5.70138593
_cell_length_c   5.70138510
_cell_angle_alpha   53.97861217
_cell_angle_beta   53.97861217
_cell_angle_gamma   53.97861545
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li2 Fe2 F6'
_cell_volume   112.61426283
_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  0.14472200  0.14472200  0.14472200  1
  Li  Li1  1  0.85527800  0.85527800  0.85527800  1
  Fe  Fe2  1  0.34600100  0.34600100  0.34600100  1
  Fe  Fe3  1  0.65399900  0.65399900  0.65399900  1
  F  F4  1  0.94156400  0.24391500  0.56469100  1
  F  F5  1  0.43530900  0.05843600  0.75608500  1
  F  F6  1  0.75608500  0.43530900  0.05843600  1
  F  F7  1  0.24391500  0.56469100  0.94156400  1
  F  F8  1  0.56469100  0.94156400  0.24391500  1
  F  F9  1  0.05843600  0.75608500  0.43530900  1
