data_HfTa2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   134.95
_cell_angle_beta   134.95
_cell_angle_gamma   65.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa2Pt
_chemical_formula_sum   'Hf1 Ta2 Pt1'
_cell_volume   72.98
_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  Hf0  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.0  0.0  0.45  1.0
  Ta  Ta3  1  0.0  0.03  0.22  1.0
  Pt  Pt1  1  0.03  0.0  0.22  1.0

data_HfTa2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   5.29
_cell_angle_alpha   112.52
_cell_angle_beta   112.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa2Pt
_chemical_formula_sum   'Hf1 Ta2 Pt1'
_cell_volume   72.98
_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  Hf0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.55  0.0  0.55  1.0
  Ta  Ta2  1  0.8  0.03  0.8  1.0
  Pt  Pt3  1  0.78  0.0  0.8  1.0

Hf Ta Ta Pt
Hf Ta Ta 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 