# generated using pymatgen
data_Li3FeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89231662
_cell_length_b   5.89231662
_cell_length_c   5.89231764
_cell_angle_alpha   91.18343636
_cell_angle_beta   91.18344588
_cell_angle_gamma   91.18343431
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FeF6
_chemical_formula_sum   'Li6 Fe2 F12'
_cell_volume   204.44496084
_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  0.75354790  0.93804778  0.44323188  1
  Li  Li1  1  0.06195222  0.55676812  0.24645210  1
  Li  Li2  1  0.55676812  0.24645210  0.06195222  1
  Li  Li3  1  0.44323188  0.75354790  0.93804778  1
  Li  Li4  1  0.93804778  0.44323188  0.75354790  1
  Li  Li5  1  0.24645210  0.06195222  0.55676812  1
  Fe  Fe6  1  -0.00000000  -0.00000000  -0.00000000  1
  Fe  Fe7  1  0.50000000  0.50000000  0.50000000  1
  F  F8  1  0.69343657  0.91515220  0.07578211  1
  F  F9  1  0.08484780  0.92421789  0.30656343  1
  F  F10  1  0.39627115  0.55135407  0.19309502  1
  F  F11  1  0.92421789  0.30656343  0.08484780  1
  F  F12  1  0.44864593  0.80690498  0.60372885  1
  F  F13  1  0.80690498  0.60372885  0.44864593  1
  F  F14  1  0.19309502  0.39627115  0.55135407  1
  F  F15  1  0.55135407  0.19309502  0.39627115  1
  F  F16  1  0.07578211  0.69343657  0.91515220  1
  F  F17  1  0.60372885  0.44864593  0.80690498  1
  F  F18  1  0.91515220  0.07578211  0.69343657  1
  F  F19  1  0.30656343  0.08484780  0.92421789  1
