data_HfAl2Tc
_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   141.23
_cell_angle_beta   129.23
_cell_angle_gamma   65.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAl2Tc
_chemical_formula_sum   'Hf1 Al2 Tc1'
_cell_volume   66.19
_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  0.22  0.1  1.0
  Al  Al0  1  0.0  0.22  0.27  1.0
  Al  Al1  1  0.0  0.0  0.13  1.0
  Tc  Tc3  1  0.0  0.0  0.53  1.0

data_HfAl2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   4.44
_cell_length_c   5.17
_cell_angle_alpha   115.39
_cell_angle_beta   109.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAl2Tc
_chemical_formula_sum   'Hf1 Al2 Tc1'
_cell_volume   66.19
_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  0.9  0.12  0.12  1.0
  Al  Al1  1  0.73  0.94  0.94  1.0
  Al  Al2  1  0.87  0.87  0.87  1.0
  Tc  Tc3  1  0.47  0.47  0.47  1.0

Hf Al Al Tc