data_[Li12Tc4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tc  1.9000  1.3500  0.7417
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1299]
_cell_length_b [9.6364]
_cell_length_c [5.5757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4713]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3TcN3]
_chemical_formula_sum '[Li12 Tc4 N12]'
_cell_volume [324.8691]
_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
[
  Li  Li0  4  0.0000  0.1883  0.5000  1
  Li  Li1  4  0.0000  0.2719  0.0000  1
  Li  Li2  4  0.1196  0.5000  0.3515  1
  Tc  Tc3  4  0.1917  0.0000  0.1438  1
  N  N4  8  0.1635  0.3466  0.7411  1
  N  N5  4  0.1083  0.0000  0.7836  1
]