# generated using pymatgen
data_HfZr9(Pb3S)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63979239
_cell_length_b   8.63979168
_cell_length_c   6.04598552
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999517
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZr9(Pb3S)2
_chemical_formula_sum   'Hf1 Zr9 Pb6 S2'
_cell_volume   390.84479534
_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  0.66666700  0.33333300  0.50000000  1.0
  Zr  Zr1  1  0.66666700  0.33333300  0.00000000  1.0
  Zr  Zr2  1  0.99991254  0.24995171  0.25009698  1.0
  Zr  Zr3  1  0.75004829  0.00008746  0.74990302  1.0
  Zr  Zr4  1  0.25003917  0.24995171  0.74990302  1.0
  Zr  Zr5  1  0.33333300  0.66666700  0.50000000  1.0
  Zr  Zr6  1  0.33333300  0.66666700  0.00000000  1.0
  Zr  Zr7  1  0.99991254  0.74996083  0.74990302  1.0
  Zr  Zr8  1  0.75004829  0.74996083  0.25009698  1.0
  Zr  Zr9  1  0.25003917  0.00008746  0.25009698  1.0
  Pb  Pb10  1  0.60161023  0.60085208  0.74887220  1.0
  Pb  Pb11  1  0.39914792  0.00075815  0.74887220  1.0
  Pb  Pb12  1  0.99924185  0.60085208  0.25112780  1.0
  Pb  Pb13  1  0.39914792  0.39838977  0.25112780  1.0
  Pb  Pb14  1  0.99924185  0.39838977  0.74887220  1.0
  Pb  Pb15  1  0.60161023  0.00075815  0.25112780  1.0
  S  S16  1  0.00000000  0.00000000  0.00000000  1.0
  S  S17  1  0.00000000  0.00000000  0.50000000  1.0