data_Nb6Tc7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.77
_cell_length_b   9.77
_cell_length_c   9.77
_cell_angle_alpha   30.74
_cell_angle_beta   30.74
_cell_angle_gamma   30.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6Tc7
_chemical_formula_sum   'Nb6 Tc7'
_cell_volume   215.72
_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  0.0  0.27  1.0
  Nb  Nb1  1  0.0  0.0  0.62  1.0
  Nb  Nb2  1  0.0  0.0  0.12  1.0
  Nb  Nb3  1  0.0  0.0  0.77  1.0
  Nb  Nb4  1  0.0  0.0  0.23  1.0
  Nb  Nb5  1  0.0  0.0  0.66  1.0
  Tc  Tc6  1  0.73  0.74  0.17  1.0
  Tc  Tc7  1  0.0  0.53  0.17  1.0
  Tc  Tc8  1  0.27  0.74  0.17  1.0
  Tc  Tc9  1  0.27  0.26  0.72  1.0
  Tc  Tc10  1  0.73  0.26  0.72  1.0
  Tc  Tc11  1  0.0  0.47  0.72  1.0
  Tc  Tc12  1  0.0  0.0  0.0  1.0

data_Nb6Tc7
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   9.77
_cell_angle_alpha   74.63
_cell_angle_beta   74.63
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6Tc7
_chemical_formula_sum   'Nb6 Tc7'
_cell_volume   215.72
_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  0.23  0.77  1.0
  Nb  Nb1  1  0.0  0.34  0.66  1.0
  Nb  Nb2  1  0.0  0.38  0.62  1.0
  Nb  Nb3  1  0.0  0.73  0.27  1.0
  Nb  Nb4  1  0.0  0.77  0.23  1.0
  Nb  Nb5  1  0.0  0.88  0.12  1.0
  Tc  Tc6  1  0.0  0.0  0.0  1.0
  Tc  Tc7  1  0.26  0.83  0.63  1.0
  Tc  Tc8  1  0.26  0.83  0.18  1.0
  Tc  Tc9  1  0.47  0.83  0.7  1.0
  Tc  Tc10  1  0.53  0.28  0.19  1.0
  Tc  Tc11  1  0.74  0.28  0.26  1.0
  Tc  Tc12  1  0.74  0.28  0.71  1.0

Nb Nb Nb Nb Nb Nb Tc Tc Tc Tc Tc Tc Tc
Nb Nb Nb Nb Nb Nb Tc Tc Tc Tc Tc Tc Tc 0 4 o o o 0 8 o - o 1 5 o o o 1 10 - o o 2 12 o o o 2 4 o o o 2 8 o - o 3 5 o o o 3 10 - o o 4 8 o - o 5 10 - o o 6 7 + o o 9 11 o o o 