# generated using pymatgen
data_Al(FeS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87838352
_cell_length_b   6.87838352
_cell_length_c   6.87838352
_cell_angle_alpha   119.33449033
_cell_angle_beta   118.68143536
_cell_angle_gamma   91.72792523
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al(FeS2)2
_chemical_formula_sum   'Al2 Fe4 S8'
_cell_volume   233.44106656
_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
  Al  Al0  1  0.50000000  0.00000000  0.50000000  1.0
  Al  Al1  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe2  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe3  1  0.50000000  0.50000000  0.00000000  1.0
  Fe  Fe4  1  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe5  1  0.00000000  0.50000000  0.50000000  1.0
  S  S6  1  0.28483600  0.75248900  0.53234800  1.0
  S  S7  1  0.26016200  0.76697700  0.00681500  1.0
  S  S8  1  0.72014100  0.75248900  0.96765200  1.0
  S  S9  1  0.73983800  0.74665300  0.50681500  1.0
  S  S10  1  0.27985900  0.24751100  0.03234800  1.0
  S  S11  1  0.73983800  0.23302300  0.99318500  1.0
  S  S12  1  0.26016200  0.25334700  0.49318500  1.0
  S  S13  1  0.71516400  0.24751100  0.46765200  1.0