data_[Na14Tc2N6]
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 [Cm]
_cell_length_a [12.0200]
_cell_length_b [6.8931]
_cell_length_c [8.3084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.3770]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na7TcN3]
_chemical_formula_sum '[Na14 Tc2 N6]'
_cell_volume [500.3577]
_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
[
  Na  Na0  4  0.0378  0.2512  0.4164  1
  Na  Na1  4  0.1180  0.2479  0.0875  1
  Na  Na2  2  0.2449  0.0000  0.9213  1
  Na  Na3  2  0.2737  0.5000  0.9264  1
  Na  Na4  2  0.3780  0.5000  0.5823  1
  Tc  Tc5  2  0.4354  0.0000  0.5900  1
  N  N6  4  0.0460  0.2797  0.7291  1
  N  N7  2  0.3213  0.0000  0.2966  1
]