# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29334458
_cell_length_b   6.29334458
_cell_length_c   6.45306900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.27506138
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li4 Fe4 F12'
_cell_volume   241.25476212
_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  0.50282500  0.49717500  0.25000000  1
  Li  Li1  1  0.99978200  0.00021800  0.75000000  1
  Li  Li2  1  0.00021800  0.99978200  0.25000000  1
  Li  Li3  1  0.49717500  0.50282500  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  0.00000000  1
  Fe  Fe7  1  0.50000000  0.00000000  0.50000000  1
  F  F8  1  0.94818600  0.68525600  0.75000000  1
  F  F9  1  0.68525600  0.94818600  0.25000000  1
  F  F10  1  0.93524400  0.68308300  0.25000000  1
  F  F11  1  0.68308300  0.93524400  0.75000000  1
  F  F12  1  0.63977700  0.36022300  0.50628900  1
  F  F13  1  0.63977700  0.36022300  0.99371100  1
  F  F14  1  0.36022300  0.63977700  0.00628900  1
  F  F15  1  0.36022300  0.63977700  0.49371100  1
  F  F16  1  0.06475600  0.31691700  0.75000000  1
  F  F17  1  0.31691700  0.06475600  0.25000000  1
  F  F18  1  0.05181400  0.31474400  0.25000000  1
  F  F19  1  0.31474400  0.05181400  0.75000000  1
