data_HfBPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   4.99
_cell_length_c   5.12
_cell_angle_alpha   90.0
_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   87.68
_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  0.71  0.5  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.71  0.0  0.56  1.0
  Pb  Pb3  1  0.0  0.5  0.56  1.0

data_HfBPb2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.43
_cell_length_b   4.99
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   HfBPb2
_chemical_formula_sum   'Hf1 B1 Pb2'
_cell_volume   87.68
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.71  0.0  -0.0  1.0
  B  B1  1  0.0  0.5  0.0  1.0
  Pb  Pb2  1  -0.0  0.0  0.56  1.0
  Pb  Pb3  1  0.71  0.5  0.56  1.0

Hf B Pb Pb
Hf B Pb Pb 0 1 + o o 0 1 + + o 0 3 + o - 0 3 + o o 1 2 - o - 1 2 - o o 2 3 + - o 2 3 + o o 