data_[K4Th2Re4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Th  1.3000  1.8000  1.0800
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9304]
_cell_length_b [6.2915]
_cell_length_c [7.4765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.2093]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Th(ReN3)2]
_chemical_formula_sum '[K4 Th2 Re4 N12]'
_cell_volume [435.0250]
_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
[
  K  K0  4  0.2100  0.5000  0.1781  1
  Th  Th1  2  0.0000  0.5000  0.5000  1
  Re  Re2  4  0.0470  0.0000  0.2080  1
  N  N3  8  0.0264  0.2391  0.7548  1
  N  N4  4  0.2392  0.0000  0.3373  1
]