data_HfGePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   134.19
_cell_angle_beta   132.91
_cell_angle_gamma   67.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGePt2
_chemical_formula_sum   'Hf1 Ge1 Pt2'
_cell_volume   67.3
_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  0.0  0.0  0.21  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.03  0.13  1.0
  Pt  Pt3  1  0.97  0.0  0.08  1.0

data_HfGePt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   4.05
_cell_length_c   5.07
_cell_angle_alpha   113.54
_cell_angle_beta   112.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGePt2
_chemical_formula_sum   'Hf1 Ge1 Pt2'
_cell_volume   67.3
_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  0.21  0.21  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.08  0.11  1.0
  Pt  Pt3  1  0.97  0.1  0.1  1.0

Hf Ge Pt Pt