data_Nb3Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Tc
_chemical_formula_sum   'Nb6 Tc2'
_cell_volume   136.01
_cell_formula_units_Z   2
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  0.44  0.14  1.0
  Nb  Nb1  1  0.25  0.56  0.43  1.0
  Nb  Nb2  1  0.65  0.15  0.14  1.0
  Nb  Nb3  1  0.85  0.85  0.43  1.0
  Nb  Nb4  1  0.65  0.85  0.43  1.0
  Nb  Nb5  1  0.85  0.15  0.14  1.0
  Tc  Tc6  1  0.25  0.86  0.14  1.0
  Tc  Tc7  1  0.25  0.14  0.43  1.0

data_Nb3Tc
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.57
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   109.3
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Nb3Tc
_chemical_formula_sum   'Nb6 Tc2'
_cell_volume   136.01
_cell_formula_units_Z   2
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  0.14  0.4  0.85  1.0
  Nb  Nb1  2  0.14  0.0  0.56  1.0
  Nb  Nb2  2  0.14  0.6  0.85  1.0
  Tc  Tc3  2  0.14  0.0  0.14  1.0

Nb Nb Nb Nb Nb Nb Tc Tc