data_[Th8Sn6N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.4647]
_cell_length_b [4.0716]
_cell_length_c [15.1827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Th4Sn3N4]
_chemical_formula_sum '[Th8 Sn6 N8]'
_cell_volume [523.2738]
_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
[
  Th  Th0  4  0.2411  0.0000  0.6682  1
  Th  Th1  2  0.0000  0.0000  0.0148  1
  Th  Th2  2  0.5000  0.0000  0.0282  1
  Sn  Sn3  4  0.3231  0.0000  0.3644  1
  Sn  Sn4  2  0.0000  0.0000  0.3101  1
  N  N5  4  0.2456  0.0000  0.0911  1
  N  N6  2  0.0000  0.0000  0.5897  1
  N  N7  2  0.5000  0.0000  0.6080  1
]