data_Nb2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   4.57
_cell_length_c   8.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Tc
_chemical_formula_sum   'Nb8 Tc4'
_cell_volume   203.66
_cell_formula_units_Z   4
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  0.06  0.14  0.98  1.0
  Nb  Nb1  1  0.94  0.14  0.8  1.0
  Nb  Nb2  1  0.78  0.43  0.69  1.0
  Nb  Nb3  1  0.65  0.43  0.08  1.0
  Nb  Nb4  1  0.78  0.14  0.13  1.0
  Nb  Nb5  1  0.65  0.14  0.52  1.0
  Nb  Nb6  1  0.49  0.43  0.41  1.0
  Nb  Nb7  1  0.36  0.43  0.23  1.0
  Tc  Tc8  1  0.96  0.14  0.62  1.0
  Tc  Tc9  1  0.76  0.43  0.52  1.0
  Tc  Tc10  1  0.67  0.14  0.69  1.0
  Tc  Tc11  1  0.47  0.43  0.59  1.0

data_Nb2Tc
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.57
_cell_length_b   5.43
_cell_length_c   8.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Nb2Tc
_chemical_formula_sum   'Nb8 Tc4'
_cell_volume   203.66
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.36  0.06  0.52  1.0
  Nb  Nb1  2  0.36  0.22  0.19  1.0
  Nb  Nb2  2  0.36  0.35  0.37  1.0
  Nb  Nb3  2  0.36  0.94  0.91  1.0
  Tc  Tc4  2  0.36  0.24  0.02  1.0
  Tc  Tc5  2  0.36  0.96  0.09  1.0

Nb Nb Nb Nb Nb Nb Nb Nb Tc Tc Tc Tc