data_Hf3Pt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.11
_cell_length_b   10.11
_cell_length_c   10.11
_cell_angle_alpha   19.8
_cell_angle_beta   19.8
_cell_angle_gamma   19.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Pt2
_chemical_formula_sum   'Hf3 Pt2'
_cell_volume   103.87
_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
  Hf  Hf1  1  0.0  0.0  0.19  1.0
  Hf  Hf2  1  0.0  0.0  0.55  1.0
  Pt  Pt3  1  0.0  0.0  0.75  1.0
  Pt  Pt4  1  0.0  0.0  0.99  1.0

data_Hf3Pt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.02
_cell_length_b   3.48
_cell_length_c   10.11
_cell_angle_alpha   90.0
_cell_angle_beta   101.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf3Pt2
_chemical_formula_sum   'Hf6 Pt4'
_cell_volume   207.73
_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  0.0  1.0
  Hf  Hf1  2  0.0  0.0  0.45  1.0
  Hf  Hf2  2  0.0  0.0  0.81  1.0
  Pt  Pt3  2  0.0  0.0  0.01  1.0
  Pt  Pt4  2  0.0  0.0  0.25  1.0

Hf Hf Hf Pt Pt