# generated using pymatgen
data_Li3FeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23015600
_cell_length_b   5.16052700
_cell_length_c   9.26144409
_cell_angle_alpha   56.39923419
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FeF6
_chemical_formula_sum   'Li6 Fe2 F12'
_cell_volume   208.20324184
_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  0.53279400  0.74097200  0.26433500  1
  Li  Li1  1  0.00000000  0.50000000  0.50000000  1
  Li  Li2  1  0.46720600  0.25902800  0.73566500  1
  Li  Li3  1  0.03279400  0.25902800  0.23566500  1
  Li  Li4  1  0.96720600  0.74097200  0.76433500  1
  Li  Li5  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe6  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe7  1  0.50000000  0.00000000  0.50000000  1
  F  F8  1  0.08876500  0.10387700  0.76623100  1
  F  F9  1  0.31483000  0.75589900  0.08402100  1
  F  F10  1  0.32681300  0.38036000  0.44399400  1
  F  F11  1  0.82681300  0.61964000  0.05600600  1
  F  F12  1  0.81483000  0.24410100  0.41597900  1
  F  F13  1  0.58876500  0.89612300  0.73376900  1
  F  F14  1  0.41123500  0.10387700  0.26623100  1
  F  F15  1  0.18517000  0.75589900  0.58402100  1
  F  F16  1  0.17318700  0.38036000  0.94399400  1
  F  F17  1  0.67318700  0.61964000  0.55600600  1
  F  F18  1  0.68517000  0.24410100  0.91597900  1
  F  F19  1  0.91123500  0.89612300  0.23376900  1
