data_[Na2Th2Re2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [P2_1/m]
_cell_length_a [6.3695]
_cell_length_b [5.9589]
_cell_length_c [7.2611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaThReN4]
_chemical_formula_sum '[Na2 Th2 Re2 N8]'
_cell_volume [275.2681]
_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  2  0.3888  0.7500  0.8644  1
  Th  Th1  2  0.1827  0.7500  0.4175  1
  Re  Re2  2  0.3237  0.2500  0.6529  1
  N  N3  4  0.1367  0.0125  0.6633  1
  N  N4  2  0.4435  0.2500  0.4345  1
  N  N5  2  0.4457  0.7500  0.1878  1
]