data_[Nb8Tc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.5032]
_cell_length_b [4.7297]
_cell_length_c [5.3308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NbTc]
_chemical_formula_sum '[Nb8 Tc8]'
_cell_volume [264.8150]
_cell_formula_units_Z [8]
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  4  0.0665  0.2500  0.4120  1
  Nb  Nb1  4  0.1876  0.7500  0.2398  1
  Tc  Tc2  4  0.0689  0.2500  0.9123  1
  Tc  Tc3  4  0.1721  0.7500  0.7373  1
]