data_Hf2PPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   3.34
_cell_angle_alpha   92.04
_cell_angle_beta   92.04
_cell_angle_gamma   103.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2PPt
_chemical_formula_sum   'Hf2 P1 Pt1'
_cell_volume   70.24
_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  0.35  0.82  0.67  1.0
  Hf  Hf1  1  0.35  0.18  0.67  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.89  0.0  0.0  1.0

data_Hf2PPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   103.11
_cell_angle_beta   92.04
_cell_angle_gamma   92.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2PPt
_chemical_formula_sum   'Hf2 P1 Pt1'
_cell_volume   70.24
_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  0.67  0.35  0.18  1.0
  Hf  Hf1  1  0.67  0.35  0.82  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  -0.0  0.89  0.0  1.0

Hf Hf P Pt
Hf Hf P Pt 0 1 o + o 2 3 - o o 