data_HfP2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   5.75
_cell_angle_alpha   96.83
_cell_angle_beta   96.83
_cell_angle_gamma   39.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfP2Pb
_chemical_formula_sum   'Hf1 P2 Pb1'
_cell_volume   85.57
_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  0.0  1.0
  P  P1  1  0.87  0.0  0.91  1.0
  P  P2  1  0.56  0.0  0.8  1.0
  Pb  Pb3  1  0.22  0.0  0.85  1.0

data_HfP2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.86
_cell_length_c   5.75
_cell_angle_alpha   96.83
_cell_angle_beta   90.0
_cell_angle_gamma   109.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfP2Pb
_chemical_formula_sum   'Hf1 P2 Pb1'
_cell_volume   85.57
_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  0.0  1.0
  P  P1  1  0.0  0.13  0.09  1.0
  P  P2  1  0.0  0.44  0.2  1.0
  Pb  Pb3  1  0.0  0.78  0.15  1.0

Hf P P Pb