# generated using pymatgen
data_Li3FeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97165926
_cell_length_b   4.97165926
_cell_length_c   4.93631800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999010
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FeF6
_chemical_formula_sum   'Li3 Fe1 F6'
_cell_volume   105.66630370
_cell_formula_units_Z   1
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  0.33333300  0.66666700  0.50000000  1
  Li  Li1  1  0.00000000  0.00000000  0.50000000  1
  Li  Li2  1  0.66666700  0.33333300  0.50000000  1
  Fe  Fe3  1  0.00000000  0.00000000  0.00000000  1
  F  F4  1  0.00000000  0.69335300  0.74207300  1
  F  F5  1  0.00000000  0.30664700  0.25792700  1
  F  F6  1  0.30664700  0.30664700  0.74207300  1
  F  F7  1  0.30664700  0.00000000  0.25792700  1
  F  F8  1  0.69335300  0.69335300  0.25792700  1
  F  F9  1  0.69335300  0.00000000  0.74207300  1
