# generated using pymatgen
data_Al2FeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55876932
_cell_length_b   3.55876932
_cell_length_c   35.82157755
_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   392.89365505
_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  0.66666700  0.33333300  0.09245100  1
  Al  Al1  1  0.00000000  0.00000000  0.24088200  1
  Al  Al2  1  0.33333300  0.66666700  0.42578500  1
  Al  Al3  1  0.66666700  0.33333300  0.57421500  1
  Al  Al4  1  0.00000000  0.00000000  0.75911800  1
  Al  Al5  1  0.33333300  0.66666700  0.90754900  1
  Fe  Fe6  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe7  1  0.66666700  0.33333300  0.33333300  1
  Fe  Fe8  1  0.33333300  0.66666700  0.66666700  1
  S  S9  1  0.66666700  0.33333300  0.21283600  1
  S  S10  1  0.00000000  0.00000000  0.12049700  1
  S  S11  1  0.00000000  0.00000000  0.30421600  1
  S  S12  1  0.66666700  0.33333300  0.02911700  1
  S  S13  1  0.33333300  0.66666700  0.54616900  1
  S  S14  1  0.66666700  0.33333300  0.45383100  1
  S  S15  1  0.66666700  0.33333300  0.63754900  1
  S  S16  1  0.33333300  0.66666700  0.36245100  1
  S  S17  1  0.00000000  0.00000000  0.87950300  1
  S  S18  1  0.33333300  0.66666700  0.78716400  1
  S  S19  1  0.33333300  0.66666700  0.97088300  1
  S  S20  1  0.00000000  0.00000000  0.69578400  1
