data_NbTc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.44
_cell_length_b   8.44
_cell_length_c   8.44
_cell_angle_alpha   152.95
_cell_angle_beta   152.95
_cell_angle_gamma   38.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTc3
_chemical_formula_sum   'Nb2 Tc6'
_cell_volume   124.0
_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  0.0  0.0  0.05  1.0
  Nb  Nb1  1  0.0  0.0  0.87  1.0
  Tc  Tc2  1  0.0  0.97  0.0  1.0
  Tc  Tc3  1  0.97  0.0  0.0  1.0
  Tc  Tc4  1  0.0  0.97  0.98  1.0
  Tc  Tc5  1  0.97  0.0  0.98  1.0
  Tc  Tc6  1  0.0  0.0  0.07  1.0
  Tc  Tc7  1  0.0  0.0  0.85  1.0

data_NbTc3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   109.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbTc3
_chemical_formula_sum   'Nb4 Tc12'
_cell_volume   247.99
_cell_formula_units_Z   4
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  0.05  0.0  0.05  1.0
  Nb  Nb1  2  0.37  0.5  0.87  1.0
  Tc  Tc2  4  0.01  0.01  0.03  1.0
  Tc  Tc3  4  0.49  0.49  0.01  1.0
  Tc  Tc4  2  0.07  0.0  0.07  1.0
  Tc  Tc5  2  0.35  0.5  0.85  1.0

Nb Nb Tc Tc Tc Tc Tc Tc