data_HfAl2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   132.58
_cell_angle_beta   132.58
_cell_angle_gamma   69.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAl2Pt
_chemical_formula_sum   'Hf1 Al2 Pt1'
_cell_volume   66.98
_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  Hf2  1  0.0  0.0  0.12  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.02  0.06  1.0
  Pt  Pt3  1  0.02  0.0  0.06  1.0

data_HfAl2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   124.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfAl2Pt
_chemical_formula_sum   'Hf2 Al4 Pt2'
_cell_volume   133.95
_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  0.38  0.5  0.88  1.0
  Al  Al1  2  0.0  0.0  0.0  1.0
  Al  Al2  2  0.45  0.5  0.95  1.0
  Pt  Pt3  2  0.45  0.5  0.95  1.0

Hf Al Al Pt
Hf Al Al Pt 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 