# generated using pymatgen
data_Al(FeS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94745738
_cell_length_b   7.01501173
_cell_length_c   9.57972147
_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   466.88204766
_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  0.25000000  0.25000000  0.75000000  1
  Al  Al1  1  0.75000000  0.25000000  0.75000000  1
  Al  Al2  1  0.25000000  0.75000000  0.25000000  1
  Al  Al3  1  0.75000000  0.75000000  0.25000000  1
  Fe  Fe4  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe5  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe6  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe7  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe8  1  0.25000000  0.25000000  0.25000000  1
  Fe  Fe9  1  0.75000000  0.25000000  0.25000000  1
  Fe  Fe10  1  0.25000000  0.75000000  0.75000000  1
  Fe  Fe11  1  0.75000000  0.75000000  0.75000000  1
  S  S12  1  0.00000000  0.00680500  0.73985100  1
  S  S13  1  0.50000000  0.49319500  0.76014900  1
  S  S14  1  0.00000000  0.49319500  0.73985100  1
  S  S15  1  0.00000000  0.50680500  0.26014900  1
  S  S16  1  0.00000000  0.99319500  0.26014900  1
  S  S17  1  0.50000000  0.50680500  0.23985100  1
  S  S18  1  0.50000000  0.99319500  0.23985100  1
  S  S19  1  0.50000000  0.00680500  0.76014900  1
  S  S20  1  0.21766200  0.25000000  0.50247600  1
  S  S21  1  0.28233800  0.25000000  0.99752400  1
  S  S22  1  0.78233800  0.25000000  0.50247600  1
  S  S23  1  0.21766200  0.75000000  0.49752400  1
  S  S24  1  0.78233800  0.75000000  0.49752400  1
  S  S25  1  0.71766200  0.75000000  0.00247600  1
  S  S26  1  0.28233800  0.75000000  0.00247600  1
  S  S27  1  0.71766200  0.25000000  0.99752400  1
