data_HfGaPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   134.36
_cell_angle_beta   131.39
_cell_angle_gamma   68.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGaPt2
_chemical_formula_sum   'Hf1 Ga1 Pt2'
_cell_volume   66.69
_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  0.07  0.06  1.0
  Ga  Ga0  1  0.0  0.0  0.09  1.0
  Pt  Pt2  1  0.0  0.0  0.01  1.0
  Pt  Pt3  1  0.95  0.0  0.13  1.0

data_HfGaPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   4.13
_cell_length_c   5.02
_cell_angle_alpha   114.31
_cell_angle_beta   112.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGaPt2
_chemical_formula_sum   'Hf1 Ga1 Pt2'
_cell_volume   66.69
_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  0.93  0.99  0.99  1.0
  Ga  Ga1  1  0.0  0.09  0.09  1.0
  Pt  Pt2  1  0.0  0.01  0.01  1.0
  Pt  Pt3  1  0.0  0.13  0.18  1.0

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