data_Hf2TaPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   145.63
_cell_angle_beta   127.18
_cell_angle_gamma   64.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TaPt
_chemical_formula_sum   'Hf2 Ta1 Pt1'
_cell_volume   76.0
_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  0.64  0.0  0.44  1.0
  Hf  Hf1  1  0.0  0.47  0.25  1.0
  Ta  Ta3  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.0  0.69  1.0

data_Hf2TaPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.94
_cell_length_c   5.55
_cell_angle_alpha   116.41
_cell_angle_beta   107.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TaPt
_chemical_formula_sum   'Hf2 Ta1 Pt1'
_cell_volume   76.0
_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  0.44  0.8  1.0
  Hf  Hf1  1  0.53  0.78  0.78  1.0
  Ta  Ta2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.69  0.69  1.0

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