data_[Th12P2C4N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  P  2.1900  1.0000  0.5500
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5193]
_cell_length_b [3.7861]
_cell_length_c [7.6080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6400]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6PC2N3]
_chemical_formula_sum '[Th12 P2 C4 N6]'
_cell_volume [464.2926]
_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  0.0004  0.0000  0.7268  1
  Th  Th1  4  0.1679  0.5000  0.5828  1
  Th  Th2  4  0.1748  0.5000  0.0916  1
  P  P3  2  0.0000  0.5000  0.0000  1
  C  C4  4  0.1696  0.0000  0.3366  1
  N  N5  4  0.1717  0.0000  0.8330  1
  N  N6  2  0.0000  0.5000  0.5000  1
]