data_[Th6Np3Pa3N18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Np  1.3600  1.7500  1.0000
  Pa  1.5000  1.8000  1.0400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.0860]
_cell_length_b [6.0860]
_cell_length_c [14.7262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Th2NpPaN6]
_chemical_formula_sum '[Th6 Np3 Pa3 N18]'
_cell_volume [472.3782]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0413  1
  Th  Th1  3  0.0000  0.0000  0.5421  1
  Np  Np2  3  0.0000  0.0000  0.3125  1
  Pa  Pa3  3  0.0000  0.0000  0.8104  1
  N  N4  9  0.0263  0.3989  0.5766  1
  N  N5  9  0.0341  0.6317  0.0752  1
]