data_HfPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   58.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPt2
_chemical_formula_sum   'Hf2 Pt4'
_cell_volume   104.13
_cell_formula_units_Z   2
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  0.37  0.33  0.21  1.0
  Hf  Hf1  1  0.37  0.67  0.64  1.0
  Pt  Pt2  1  0.77  0.94  0.21  1.0
  Pt  Pt3  1  0.96  0.06  0.64  1.0
  Pt  Pt4  1  0.96  0.94  0.21  1.0
  Pt  Pt5  1  0.77  0.06  0.64  1.0

data_HfPt2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.85
_cell_length_b   4.92
_cell_length_c   5.01
_cell_angle_alpha   119.4
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HfPt2
_chemical_formula_sum   'Hf2 Pt4'
_cell_volume   104.13
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.29  0.33  0.83  1.0
  Pt  Pt1  2  0.29  0.94  0.03  1.0
  Pt  Pt2  2  0.29  0.94  0.85  1.0

Hf Hf Pt Pt Pt Pt