data_NbAlTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   4.37
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   104.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlTc2
_chemical_formula_sum   'Nb1 Al1 Tc2'
_cell_volume   61.66
_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  0.58  0.18  0.75  1.0
  Al  Al0  1  0.89  0.0  0.51  1.0
  Tc  Tc2  1  0.99  0.0  0.07  1.0
  Tc  Tc3  1  0.72  0.18  0.24  1.0

data_NbAlTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.37
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   104.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlTc2
_chemical_formula_sum   'Nb1 Al1 Tc2'
_cell_volume   61.66
_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  0.58  0.18  0.75  1.0
  Al  Al1  1  0.89  0.0  0.51  1.0
  Tc  Tc2  1  0.72  0.18  0.24  1.0
  Tc  Tc3  1  0.99  0.0  0.07  1.0

Nb Al Tc Tc