data_Hf2MoPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.59
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MoPt
_chemical_formula_sum   'Hf2 Mo1 Pt1'
_cell_volume   69.2
_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  0.73  0.79  0.74  1.0
  Hf  Hf1  1  0.23  0.79  0.57  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.95  0.0  0.16  1.0

data_Hf2MoPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.59
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MoPt
_chemical_formula_sum   'Hf2 Mo1 Pt1'
_cell_volume   69.2
_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  0.23  0.79  0.57  1.0
  Hf  Hf1  1  0.73  0.79  0.74  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.95  0.0  0.16  1.0

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