data_[Tc4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4219]
_cell_length_b [5.5667]
_cell_length_c [6.1871]
_cell_angle_alpha [106.1521]
_cell_angle_beta [101.5733]
_cell_angle_gamma [115.2291]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TcN2]
_chemical_formula_sum '[Tc4 N8]'
_cell_volume [150.9152]
_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
[
  Tc  Tc0  2  0.1527  0.7094  0.9123  1
  Tc  Tc1  2  0.2621  0.8191  0.5405  1
  N  N2  2  0.0205  0.3105  0.8296  1
  N  N3  2  0.0851  0.3135  0.3600  1
  N  N4  2  0.4353  0.1917  0.6161  1
  N  N5  2  0.4871  0.1470  0.1564  1
]