data_TiAl2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   4.07
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl2Tc
_chemical_formula_sum   'Ti1 Al2 Tc1'
_cell_volume   60.89
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.37  0.04  0.41  1.0
  Al  Al1  1  0.37  0.04  0.03  1.0
  Tc  Tc2  1  0.0  0.0  0.72  1.0

data_TiAl2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.07
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl2Tc
_chemical_formula_sum   'Ti1 Al2 Tc1'
_cell_volume   60.89
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.37  0.04  0.03  1.0
  Al  Al2  1  0.37  0.04  0.41  1.0
  Tc  Tc3  1  0.0  0.0  0.72  1.0

Ti Al Al Tc