data_[Th10N9F13]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0628]
_cell_length_b [4.0628]
_cell_length_c [29.4453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Th10N9F13]
_chemical_formula_sum '[Th10 N9 F13]'
_cell_volume [486.0347]
_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  0.0000  0.5000  0.1396  1
  Th  Th1  2  0.0000  0.5000  0.3396  1
  Th  Th2  2  0.0000  0.5000  0.5443  1
  Th  Th3  2  0.0000  0.5000  0.7410  1
  Th  Th4  2  0.0000  0.5000  0.9407  1
  N  N5  2  0.0000  0.0000  0.0995  1
  N  N6  2  0.0000  0.0000  0.3000  1
  N  N7  2  0.5000  0.5000  0.0994  1
  N  N8  2  0.5000  0.5000  0.2985  1
  N  N9  1  0.5000  0.5000  0.5000  1
  F  F10  2  0.0000  0.0000  0.1995  1
  F  F11  2  0.0000  0.0000  0.4007  1
  F  F12  2  0.0000  0.5000  0.4487  1
  F  F13  2  0.5000  0.5000  0.1988  1
  F  F14  2  0.5000  0.5000  0.3962  1
  F  F15  1  0.0000  0.0000  0.0000  1
  F  F16  1  0.0000  0.0000  0.5000  1
  F  F17  1  0.5000  0.5000  0.0000  1
]