# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33027000
_cell_length_b   5.35338600
_cell_length_c   7.89610100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li4 Fe4 F12'
_cell_volume   225.31518514
_cell_formula_units_Z   4
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  0.02484200  0.01649300  0.25000000  1
  Li  Li1  1  0.47515800  0.51649300  0.75000000  1
  Li  Li2  1  0.52484200  0.48350700  0.25000000  1
  Li  Li3  1  0.97515800  0.98350700  0.75000000  1
  Fe  Fe4  1  0.00000000  0.50000000  0.00000000  1
  Fe  Fe5  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe6  1  0.50000000  0.00000000  0.50000000  1
  Fe  Fe7  1  0.50000000  0.00000000  0.00000000  1
  F  F8  1  0.10525300  0.63360200  0.75000000  1
  F  F9  1  0.16999800  0.16322900  0.92544400  1
  F  F10  1  0.16999800  0.16322900  0.57455600  1
  F  F11  1  0.33000200  0.66322900  0.07455600  1
  F  F12  1  0.33000200  0.66322900  0.42544400  1
  F  F13  1  0.39474700  0.13360200  0.25000000  1
  F  F14  1  0.60525300  0.86639800  0.75000000  1
  F  F15  1  0.66999800  0.33677100  0.57455600  1
  F  F16  1  0.66999800  0.33677100  0.92544400  1
  F  F17  1  0.83000200  0.83677100  0.07455600  1
  F  F18  1  0.83000200  0.83677100  0.42544400  1
  F  F19  1  0.89474700  0.36639800  0.25000000  1
