data_[Nb4Tc4C4]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8709]
_cell_length_b [3.0420]
_cell_length_c [5.2559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3199]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NbTcC]
_chemical_formula_sum '[Nb4 Tc4 C4]'
_cell_volume [154.7521]
_cell_formula_units_Z [4]
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  0.1179  0.0000  0.8580  1
  Tc  Tc1  4  0.1245  0.5000  0.3677  1
  C  C2  4  0.2439  0.0000  0.2541  1
]