# generated using pymatgen
data_Hf9Zr(Sn3S)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.44898913
_cell_length_b   8.45841033
_cell_length_c   5.90724685
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.03689865
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf9Zr(Sn3S)2
_chemical_formula_sum   'Hf9 Zr1 Sn6 S2'
_cell_volume   365.46656803
_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
  Hf  Hf0  1  0.66644398  0.33284242  0.99991042  1.0
  Hf  Hf1  1  0.33355602  0.66639944  0.99991042  1.0
  Hf  Hf2  1  0.33355602  0.66639944  0.50008958  1.0
  Hf  Hf3  1  0.66644398  0.33284242  0.50008958  1.0
  Hf  Hf4  1  0.74561728  0.74609473  0.75000000  1.0
  Hf  Hf5  1  0.25438272  0.00047645  0.75000000  1.0
  Hf  Hf6  1  0.00000000  0.25503272  0.75000000  1.0
  Hf  Hf7  1  0.25396804  0.25333896  0.25000000  1.0
  Hf  Hf8  1  0.74603196  0.99937092  0.25000000  1.0
  Zr  Zr9  1  0.00000000  0.74537982  0.25000000  1.0
  Sn  Sn10  1  0.39905832  0.39897554  0.75000000  1.0
  Sn  Sn11  1  0.60094168  0.99991822  0.75000000  1.0
  Sn  Sn12  1  0.00000000  0.60124107  0.75000000  1.0
  Sn  Sn13  1  0.60004149  0.60021258  0.25000000  1.0
  Sn  Sn14  1  0.39995851  0.00017109  0.25000000  1.0
  Sn  Sn15  1  1.00000000  0.39745890  0.25000000  1.0
  S  S16  1  0.00000000  0.00192365  0.99873257  1.0
  S  S17  1  0.00000000  0.00192365  0.50126743  1.0