data_Hf2PdPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   4.75
_cell_angle_alpha   101.06
_cell_angle_beta   101.06
_cell_angle_gamma   37.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2PdPt
_chemical_formula_sum   'Hf2 Pd1 Pt1'
_cell_volume   74.18
_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  0.05  0.0  0.25  1.0
  Hf  Hf1  1  0.71  0.0  0.27  1.0
  Pd  Pd2  1  0.34  0.0  0.45  1.0
  Pt  Pt3  1  0.09  0.0  0.01  1.0

data_Hf2PdPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.75
_cell_length_c   5.15
_cell_angle_alpha   101.06
_cell_angle_beta   108.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2PdPt
_chemical_formula_sum   'Hf2 Pd1 Pt1'
_cell_volume   74.18
_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  0.25  0.05  1.0
  Hf  Hf1  1  0.0  0.27  0.71  1.0
  Pd  Pd2  1  0.0  0.45  0.34  1.0
  Pt  Pt3  1  0.0  0.01  0.09  1.0

Hf Hf Pd Pt
Hf Hf Pd Pt 0 3 o o o 0 1 - o o 0 2 o o o 