# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13256700
_cell_length_b   6.13256700
_cell_length_c   6.13256700
_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   230.63589790
_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  0.87830400  0.87830400  0.87830400  1
  Li  Li1  1  0.12169600  0.37830400  0.62169600  1
  Li  Li2  1  0.62169600  0.12169600  0.37830400  1
  Li  Li3  1  0.37830400  0.62169600  0.12169600  1
  Fe  Fe4  1  0.16158700  0.16158700  0.16158700  1
  Fe  Fe5  1  0.33841300  0.83841300  0.66158700  1
  Fe  Fe6  1  0.66158700  0.33841300  0.83841300  1
  Fe  Fe7  1  0.83841300  0.66158700  0.33841300  1
  F  F8  1  0.01334400  0.73491300  0.62015400  1
  F  F9  1  0.26508700  0.12015400  0.48665600  1
  F  F10  1  0.12015400  0.48665600  0.26508700  1
  F  F11  1  0.37984600  0.51334400  0.76508700  1
  F  F12  1  0.23491300  0.87984600  0.98665600  1
  F  F13  1  0.48665600  0.26508700  0.12015400  1
  F  F14  1  0.51334400  0.76508700  0.37984600  1
  F  F15  1  0.76508700  0.37984600  0.51334400  1
  F  F16  1  0.62015400  0.01334400  0.73491300  1
  F  F17  1  0.87984600  0.98665600  0.23491300  1
  F  F18  1  0.73491300  0.62015400  0.01334400  1
  F  F19  1  0.98665600  0.23491300  0.87984600  1
