data_HfBPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   3.56
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   116.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBPb2
_chemical_formula_sum   'Hf1 B1 Pb2'
_cell_volume   92.27
_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  Hf1  1  0.74  0.78  0.43  1.0
  B  B0  1  0.72  0.0  0.47  1.0
  Pb  Pb2  1  0.19  0.0  0.29  1.0
  Pb  Pb3  1  0.12  0.78  0.24  1.0

data_HfBPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   5.23
_cell_length_c   5.53
_cell_angle_alpha   116.53
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBPb2
_chemical_formula_sum   'Hf1 B1 Pb2'
_cell_volume   92.27
_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  0.22  0.26  0.57  1.0
  B  B1  1  0.0  0.28  0.53  1.0
  Pb  Pb2  1  0.0  0.81  0.71  1.0
  Pb  Pb3  1  0.22  0.88  0.76  1.0

Hf B Pb Pb