data_[Cs2Th2Tc2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Th  1.3000  1.8000  1.0800
  Tc  1.9000  1.3500  0.7417
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2463]
_cell_length_b [6.0476]
_cell_length_c [8.3880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2130]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsThTcN4]
_chemical_formula_sum '[Cs2 Th2 Tc2 N8]'
_cell_volume [305.7516]
_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
[
  Cs  Cs0  2  0.2776  0.2500  0.0755  1
  Th  Th1  2  0.2140  0.2500  0.5561  1
  Tc  Tc2  2  0.2580  0.7500  0.3578  1
  N  N3  4  0.0630  0.5165  0.3449  1
  N  N4  2  0.4405  0.7500  0.2223  1
  N  N5  2  0.4536  0.7500  0.5554  1
]