data_[Nb12V2Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8893]
_cell_length_b [3.0654]
_cell_length_c [10.1379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8374]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb6VTc2]
_chemical_formula_sum '[Nb12 V2 Tc4]'
_cell_volume [322.1401]
_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  4  0.0307  0.0000  0.7450  1
  Nb  Nb1  4  0.1367  0.5000  0.5388  1
  Nb  Nb2  4  0.2478  0.0000  0.1128  1
  V  V3  2  0.0000  0.0000  0.0000  1
  Tc  Tc4  4  0.1765  0.5000  0.2923  1
]