data_NbTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.48
_cell_length_b   10.48
_cell_length_c   10.48
_cell_angle_alpha   162.75
_cell_angle_beta   162.75
_cell_angle_gamma   24.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTc2
_chemical_formula_sum   'Nb2 Tc4'
_cell_volume   101.06
_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  0.0  1.0
  Nb  Nb1  1  0.0  0.57  0.12  1.0
  Tc  Tc2  1  0.57  0.0  0.56  1.0
  Tc  Tc3  1  0.57  0.0  0.68  1.0
  Tc  Tc4  1  0.0  0.0  0.67  1.0
  Tc  Tc5  1  0.0  0.0  0.8  1.0

data_NbTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   10.48
_cell_angle_alpha   98.62
_cell_angle_beta   98.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTc2
_chemical_formula_sum   'Nb2 Tc4'
_cell_volume   101.06
_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  0.0  1.0
  Nb  Nb1  1  0.55  0.12  0.55  1.0
  Tc  Tc2  1  0.56  0.98  0.98  1.0
  Tc  Tc3  1  0.67  0.67  0.67  1.0
  Tc  Tc4  1  0.68  0.11  0.11  1.0
  Tc  Tc5  1  0.8  0.8  0.8  1.0

Nb Nb Tc Tc Tc Tc