# generated using pymatgen
data_Al2FeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59610321
_cell_length_b   3.59610321
_cell_length_c   37.00094250
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2FeS4
_chemical_formula_sum   'Al6 Fe3 S12'
_cell_volume   414.38851846
_cell_formula_units_Z   3
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
  Al  Al0  1  0.00000000  0.00000000  0.29817900  1
  Al  Al1  1  0.66666700  0.33333300  0.63151200  1
  Al  Al2  1  0.33333300  0.66666700  0.96484600  1
  Al  Al3  1  0.00000000  0.00000000  0.53286600  1
  Al  Al4  1  0.66666700  0.33333300  0.86619900  1
  Al  Al5  1  0.33333300  0.66666700  0.19953300  1
  Fe  Fe6  1  0.00000000  0.00000000  0.06103200  1
  Fe  Fe7  1  0.66666700  0.33333300  0.39436500  1
  Fe  Fe8  1  0.33333300  0.66666700  0.72769900  1
  S  S9  1  0.00000000  0.00000000  0.17347500  1
  S  S10  1  0.66666700  0.33333300  0.50680800  1
  S  S11  1  0.33333300  0.66666700  0.84014200  1
  S  S12  1  0.00000000  0.00000000  0.41725500  1
  S  S13  1  0.66666700  0.33333300  0.75058800  1
  S  S14  1  0.33333300  0.66666700  0.08392200  1
  S  S15  1  0.00000000  0.00000000  0.59334400  1
  S  S16  1  0.66666700  0.33333300  0.92667700  1
  S  S17  1  0.33333300  0.66666700  0.26001100  1
  S  S18  1  0.00000000  0.00000000  0.99664900  1
  S  S19  1  0.66666700  0.33333300  0.32998200  1
  S  S20  1  0.33333300  0.66666700  0.66331600  1
