data_[Th4C1S1N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.5780]
_cell_length_b [3.7640]
_cell_length_c [6.6122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1714]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Th4CSN2]
_chemical_formula_sum '[Th4 C1 S1 N2]'
_cell_volume [154.6360]
_cell_formula_units_Z [1]
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  2  0.2623  0.5000  0.2396  1
  Th  Th1  2  0.2724  0.0000  0.7729  1
  C  C2  1  0.0000  0.0000  0.0000  1
  S  S3  1  0.0000  0.5000  0.5000  1
  N  N4  1  0.5000  0.0000  0.5000  1
  N  N5  1  0.5000  0.5000  0.0000  1
]