data_Nb2AlTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   143.62
_cell_angle_beta   130.4
_cell_angle_gamma   63.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AlTc
_chemical_formula_sum   'Nb2 Al1 Tc1'
_cell_volume   65.71
_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  0.21  0.1  1.0
  Nb  Nb2  1  0.65  0.0  0.4  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.5  1.0

data_Nb2AlTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.43
_cell_length_c   5.28
_cell_angle_alpha   114.8
_cell_angle_beta   108.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AlTc
_chemical_formula_sum   'Nb2 Al1 Tc1'
_cell_volume   65.71
_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  0.25  0.6  0.25  1.0
  Nb  Nb1  1  0.9  0.11  0.11  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.5  0.5  0.5  1.0

Nb Nb Al Tc