data_[Zr3U3Pa6N18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  U  1.3800  1.7500  0.9913
  Pa  1.5000  1.8000  1.0400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.8974]
_cell_length_b [5.8974]
_cell_length_c [14.6059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [ZrU(PaN3)2]
_chemical_formula_sum '[Zr3 U3 Pa6 N18]'
_cell_volume [439.9328]
_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
[
  Zr  Zr0  3  0.0000  0.0000  0.6939  1
  U  U1  3  0.0000  0.0000  0.1929  1
  Pa  Pa2  3  0.0000  0.0000  0.4727  1
  Pa  Pa3  3  0.0000  0.0000  0.9705  1
  N  N4  9  0.0519  0.6773  0.2508  1
  N  N5  9  0.0542  0.3699  0.7520  1
]