data_[K12Tc8N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tc  1.9000  1.3500  0.7417
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.1462]
_cell_length_b [16.3838]
_cell_length_c [8.2856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [K3(TcN2)2]
_chemical_formula_sum '[K12 Tc8 N16]'
_cell_volume [834.3415]
_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
[
  K  K0  8  0.0000  0.1032  0.9322  1
  K  K1  4  0.0000  0.2500  0.4912  1
  Tc  Tc2  8  0.0000  0.0397  0.3657  1
  N  N3  8  0.0000  0.0769  0.5902  1
  N  N4  8  0.2500  0.0674  0.2500  1
]