data_[Th8Pa2N14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Pa  1.5000  1.8000  1.0400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.8095]
_cell_length_b [3.5659]
_cell_length_c [10.0029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9821]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Th4PaN7]
_chemical_formula_sum '[Th8 Pa2 N14]'
_cell_volume [400.6635]
_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  2  0.1150  0.0000  0.4180  1
  Th  Th1  2  0.1841  0.5000  0.8112  1
  Th  Th2  2  0.3095  0.0000  0.1854  1
  Th  Th3  2  0.4949  0.5000  0.9967  1
  Pa  Pa4  2  0.3923  0.5000  0.5799  1
  N  N5  2  0.0001  0.5000  0.5157  1
  N  N6  2  0.0491  0.0000  0.7820  1
  N  N7  2  0.1471  0.5000  0.0389  1
  N  N8  2  0.2380  0.5000  0.3771  1
  N  N9  2  0.2850  0.0000  0.6264  1
  N  N10  2  0.3405  0.0000  0.9569  1
  N  N11  2  0.4445  0.5000  0.2117  1
]