# generated using pymatgen
data_Al(FeS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94739119
_cell_length_b   6.98823380
_cell_length_c   9.55075017
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al(FeS2)2
_chemical_formula_sum   'Al4 Fe8 S16'
_cell_volume   463.68886284
_cell_formula_units_Z   4
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  0.50000000  0.00000000  0.50000000  1
  Al  Al1  1  0.00000000  0.00000000  0.00000000  1
  Al  Al2  1  0.00000000  0.50000000  0.00000000  1
  Al  Al3  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe4  1  0.75000000  0.75000000  0.75000000  1
  Fe  Fe5  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe6  1  0.25000000  0.75000000  0.75000000  1
  Fe  Fe7  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe8  1  0.25000000  0.25000000  0.25000000  1
  Fe  Fe9  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe10  1  0.75000000  0.25000000  0.25000000  1
  Fe  Fe11  1  0.00000000  0.50000000  0.50000000  1
  S  S12  1  0.50000000  0.96833600  0.74777100  1
  S  S13  1  0.25644500  0.25000000  0.49121800  1
  S  S14  1  0.50000000  0.53166400  0.74777100  1
  S  S15  1  0.25644500  0.75000000  0.50878200  1
  S  S16  1  0.00000000  0.96833600  0.75222900  1
  S  S17  1  0.24355500  0.25000000  0.00878200  1
  S  S18  1  0.24355500  0.75000000  0.99121800  1
  S  S19  1  0.00000000  0.53166400  0.75222900  1
  S  S20  1  0.00000000  0.46833600  0.24777100  1
  S  S21  1  0.75644500  0.75000000  0.99121800  1
  S  S22  1  0.00000000  0.03166400  0.24777100  1
  S  S23  1  0.75644500  0.25000000  0.00878200  1
  S  S24  1  0.50000000  0.46833600  0.25222900  1
  S  S25  1  0.74355500  0.75000000  0.50878200  1
  S  S26  1  0.74355500  0.25000000  0.49121800  1
  S  S27  1  0.50000000  0.03166400  0.25222900  1
