# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.81401832
_cell_length_b   8.81401832
_cell_length_c   8.81401805
_cell_angle_alpha   111.75792083
_cell_angle_beta   111.75792083
_cell_angle_gamma   111.75792295
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li6 Fe6 F18'
_cell_volume   477.30698273
_cell_formula_units_Z   6
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  0.91447200  0.05721400  0.72179400  1
  Li  Li1  1  0.94278600  0.27820600  0.08552800  1
  Li  Li2  1  0.27820600  0.08552800  0.94278600  1
  Li  Li3  1  0.72179400  0.91447200  0.05721400  1
  Li  Li4  1  0.05721400  0.72179400  0.91447200  1
  Li  Li5  1  0.08552800  0.94278600  0.27820600  1
  Fe  Fe6  1  0.98980300  0.30469900  0.47960600  1
  Fe  Fe7  1  0.52039400  0.01019700  0.69530100  1
  Fe  Fe8  1  0.69530100  0.52039400  0.01019700  1
  Fe  Fe9  1  0.30469900  0.47960600  0.98980300  1
  Fe  Fe10  1  0.47960600  0.98980300  0.30469900  1
  Fe  Fe11  1  0.01019700  0.69530100  0.52039400  1
  F  F12  1  0.98809400  0.88290600  0.71179300  1
  F  F13  1  0.68075900  0.08664700  0.24535400  1
  F  F14  1  0.11709400  0.28820700  0.01190600  1
  F  F15  1  0.65797400  0.99837500  0.54057300  1
  F  F16  1  0.00162500  0.45942700  0.34202600  1
  F  F17  1  0.75464600  0.31924100  0.91335300  1
  F  F18  1  0.91335300  0.75464600  0.31924100  1
  F  F19  1  0.28820700  0.01190600  0.11709400  1
  F  F20  1  0.45942700  0.34202600  0.00162500  1
  F  F21  1  0.54057300  0.65797400  0.99837500  1
  F  F22  1  0.71179300  0.98809400  0.88290600  1
  F  F23  1  0.08664700  0.24535400  0.68075900  1
  F  F24  1  0.24535400  0.68075900  0.08664700  1
  F  F25  1  0.99837500  0.54057300  0.65797400  1
  F  F26  1  0.34202600  0.00162500  0.45942700  1
  F  F27  1  0.88290600  0.71179300  0.98809400  1
  F  F28  1  0.31924100  0.91335300  0.75464600  1
  F  F29  1  0.01190600  0.11709400  0.28820700  1
