data_HfNbPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   140.43
_cell_angle_beta   140.43
_cell_angle_gamma   57.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbPb
_chemical_formula_sum   'Hf1 Nb1 Pb1'
_cell_volume   63.84
_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  0.0  0.0  0.07  1.0
  Nb  Nb1  1  0.0  0.0  0.3  1.0
  Pb  Pb2  1  0.0  0.0  0.14  1.0

data_HfNbPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   118.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfNbPb
_chemical_formula_sum   'Hf2 Nb2 Pb2'
_cell_volume   127.68
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.93  1.0
  Nb  Nb1  2  0.0  0.0  0.7  1.0
  Pb  Pb2  2  0.0  0.0  0.86  1.0

Hf Nb Pb
Hf Nb Pb 0 2 o o o 1 2 o o o 