# generated using pymatgen
data_Y3Hf2Pb3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.94366771
_cell_length_b   8.94366826
_cell_length_c   6.28383769
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999432
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Hf2Pb3S
_chemical_formula_sum   'Y6 Hf4 Pb6 S2'
_cell_volume   435.29828145
_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
  Y  Y0  1  1.00000000  0.24968031  0.25000000  1.0
  Y  Y1  1  0.75031969  0.00000000  0.75000000  1.0
  Y  Y2  1  0.24968031  0.24968031  0.75000000  1.0
  Y  Y3  1  0.00000000  0.75031969  0.75000000  1.0
  Y  Y4  1  0.75031969  0.75031969  0.25000000  1.0
  Y  Y5  1  0.24968031  1.00000000  0.25000000  1.0
  Hf  Hf6  1  0.66666700  0.33333300  0.00000000  1.0
  Hf  Hf7  1  0.33333300  0.66666700  0.50000000  1.0
  Hf  Hf8  1  0.33333300  0.66666700  0.00000000  1.0
  Hf  Hf9  1  0.66666700  0.33333300  0.50000000  1.0
  Pb  Pb10  1  0.60012314  0.60012314  0.75000000  1.0
  Pb  Pb11  1  0.39987686  0.00000000  0.75000000  1.0
  Pb  Pb12  1  0.00000000  0.60012314  0.25000000  1.0
  Pb  Pb13  1  0.39987686  0.39987686  0.25000000  1.0
  Pb  Pb14  1  0.00000000  0.39987686  0.75000000  1.0
  Pb  Pb15  1  0.60012314  0.00000000  0.25000000  1.0
  S  S16  1  0.00000000  0.00000000  0.00000000  1.0
  S  S17  1  0.00000000  0.00000000  0.50000000  1.0