data_NbTc8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   6.21
_cell_angle_alpha   95.66
_cell_angle_beta   95.66
_cell_angle_gamma   143.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTc8
_chemical_formula_sum   'Nb1 Tc8'
_cell_volume   135.74
_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  0.0  1.0
  Tc  Tc1  1  0.47  0.53  0.95  1.0
  Tc  Tc2  1  0.53  0.47  0.95  1.0
  Tc  Tc3  1  0.0  0.49  0.0  1.0
  Tc  Tc4  1  0.7  0.7  0.0  1.0
  Tc  Tc5  1  0.49  0.0  0.0  1.0
  Tc  Tc6  1  0.47  0.47  0.95  1.0
  Tc  Tc7  1  0.0  0.85  0.0  1.0
  Tc  Tc8  1  0.85  0.0  0.0  1.0

data_NbTc8
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.9
_cell_length_b   11.8
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   108.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbTc8
_chemical_formula_sum   'Nb2 Tc16'
_cell_volume   271.49
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Tc  Tc1  4  0.0  0.47  0.05  1.0
  Tc  Tc2  4  0.07  0.07  0.0  1.0
  Tc  Tc3  4  0.26  0.26  -0.0  1.0
  Tc  Tc4  2  0.03  0.5  0.05  1.0
  Tc  Tc5  2  0.3  0.0  0.0  1.0

Nb Tc Tc Tc Tc Tc Tc Tc Tc
Nb Tc Tc Tc Tc Tc Tc Tc Tc 0 8 - o o 0 7 o - o 1 6 o o o 1 4 o o + 2 6 o o o 2 4 o o + 3 5 - o o 3 5 o + o 3 7 o o o 3 8 - o o 4 6 o o - 5 7 o - o 5 8 o o o 