# generated using pymatgen
data_Hf3BPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17375613
_cell_length_b   6.17375555
_cell_length_c   9.29348553
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   146.82593925
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3BPb
_chemical_formula_sum   'Hf6 B2 Pb2'
_cell_volume   193.82562333
_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
  Hf  Hf0  1  0.62607157  0.37392843  0.45992617  1.0
  Hf  Hf1  1  0.37392843  0.62607157  0.54007383  1.0
  Hf  Hf2  1  0.62607157  0.37392843  0.04007383  1.0
  Hf  Hf3  1  0.37392843  0.62607157  0.95992617  1.0
  Hf  Hf4  1  0.96663994  0.03336006  0.25000000  1.0
  Hf  Hf5  1  0.03336006  0.96663994  0.75000000  1.0
  B  B6  1  0.00000000  0.00000000  0.50000000  1.0
  B  B7  1  0.00000000  0.00000000  0.00000000  1.0
  Pb  Pb8  1  0.25267481  0.74732519  0.25000000  1.0
  Pb  Pb9  1  0.74732519  0.25267481  0.75000000  1.0