data_[Na12Tc4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [6.7529]
_cell_length_b [10.5045]
_cell_length_c [6.1114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3TcN3]
_chemical_formula_sum '[Na12 Tc4 N12]'
_cell_volume [424.7221]
_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
[
  Na  Na0  4  0.0000  0.1848  0.5000  1
  Na  Na1  4  0.0000  0.2701  0.0000  1
  Na  Na2  4  0.1224  0.5000  0.3561  1
  Tc  Tc3  4  0.1746  0.0000  0.1434  1
  N  N4  8  0.1982  0.3574  0.7417  1
  N  N5  4  0.1047  0.0000  0.8106  1
]