data_[Na4Th2Mo2N8]
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
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.1679]
_cell_length_b [7.3636]
_cell_length_c [5.0631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Na2ThMoN4]
_chemical_formula_sum '[Na4 Th2 Mo2 N8]'
_cell_volume [267.2333]
_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  4  0.2495  0.6337  0.5482  1
  Th  Th1  2  0.0000  0.1287  0.5515  1
  Mo  Mo2  2  0.0000  0.8120  0.9974  1
  N  N3  4  0.2311  0.6953  0.0766  1
  N  N4  2  0.0000  0.0681  0.0648  1
  N  N5  2  0.0000  0.8270  0.6368  1
]