data_[K4Th2Re2N8]
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 [Pmn2_1]
_cell_length_a [7.3039]
_cell_length_b [7.7409]
_cell_length_c [6.0350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [K2ThReN4]
_chemical_formula_sum '[K4 Th2 Re2 N8]'
_cell_volume [341.2145]
_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  0.2436  0.6442  0.5245  1
  Th  Th1  2  0.0000  0.1348  0.5011  1
  Re  Re2  2  0.0000  0.8596  0.9957  1
  N  N3  4  0.2127  0.7406  0.0690  1
  N  N4  2  0.0000  0.0772  0.1229  1
  N  N5  2  0.0000  0.8841  0.6935  1
]