data_HfZrPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   3.19
_cell_angle_alpha   91.48
_cell_angle_beta   91.48
_cell_angle_gamma   97.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZrPt2
_chemical_formula_sum   'Hf1 Zr1 Pt2'
_cell_volume   74.04
_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  0.18  0.0  0.0  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.53  0.82  0.6  1.0
  Pt  Pt2  1  0.53  0.18  0.6  1.0

data_HfZrPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   97.8
_cell_angle_beta   91.48
_cell_angle_gamma   91.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZrPt2
_chemical_formula_sum   'Hf1 Zr1 Pt2'
_cell_volume   74.04
_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  0.18  0.0  1.0
  Zr  Zr1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.6  0.53  0.18  1.0
  Pt  Pt3  1  0.6  0.53  0.82  1.0

Hf Zr Pt Pt
Hf Zr Pt Pt 0 1 o o o 2 3 o + o 