data_NbAlTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   143.7
_cell_angle_beta   126.43
_cell_angle_gamma   66.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlTc2
_chemical_formula_sum   'Nb1 Al1 Tc2'
_cell_volume   61.8
_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
  Nb  Nb1  1  0.0  0.0  0.26  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.29  0.08  1.0
  Tc  Tc3  1  0.58  0.0  0.18  1.0

data_NbAlTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.58
_cell_length_c   5.09
_cell_angle_alpha   116.78
_cell_angle_beta   108.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlTc2
_chemical_formula_sum   'Nb1 Al1 Tc2'
_cell_volume   61.8
_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
  Nb  Nb0  1  0.0  0.26  0.26  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.18  0.59  1.0
  Tc  Tc3  1  0.71  0.78  0.78  1.0

Nb Al Tc Tc