# generated using pymatgen
data_Al2FeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.50717820
_cell_length_b   12.50717820
_cell_length_c   12.50717828
_cell_angle_alpha   16.53114500
_cell_angle_beta   16.53114500
_cell_angle_gamma   16.53114599
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2FeS4
_chemical_formula_sum   'Al2 Fe1 S4'
_cell_volume   138.12955284
_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
  Al  Al0  1  0.29817900  0.29817900  0.29817900  1.0
  Al  Al1  1  0.53286600  0.53286600  0.53286600  1.0
  Fe  Fe2  1  0.06103200  0.06103200  0.06103200  1.0
  S  S3  1  0.99664900  0.99664900  0.99664900  1.0
  S  S4  1  0.17347500  0.17347500  0.17347500  1.0
  S  S5  1  0.41725500  0.41725500  0.41725500  1.0
  S  S6  1  0.59334400  0.59334400  0.59334400  1.0