data_HfInPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   134.32
_cell_angle_beta   132.55
_cell_angle_gamma   67.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfInPt2
_chemical_formula_sum   'Hf1 In1 Pt2'
_cell_volume   71.76
_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  0.01  0.0  0.28  1.0
  In  In1  1  0.0  0.0  0.45  1.0
  Pt  Pt2  1  0.0  0.08  0.28  1.0
  Pt  Pt3  1  0.0  0.0  0.16  1.0

data_HfInPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.02
_cell_length_b   4.16
_cell_length_c   5.17
_cell_angle_alpha   113.72
_cell_angle_beta   112.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfInPt2
_chemical_formula_sum   'Hf1 In1 Pt2'
_cell_volume   71.76
_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  0.72  0.73  1.0
  In  In1  1  0.55  0.55  0.55  1.0
  Pt  Pt2  1  0.72  0.8  0.8  1.0
  Pt  Pt3  1  0.84  0.84  0.84  1.0

Hf In Pt Pt
Hf In Pt Pt 0 2 o o o 0 1 o o o 2 3 o o o 