data_[U3N6Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9731]
_cell_length_b [4.9731]
_cell_length_c [34.0001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [U(NCl2)2]
_chemical_formula_sum '[U3 N6 Cl12]'
_cell_volume [728.2142]
_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
[
  U  U0  3  0.0000  0.0000  0.0000  1
  N  N1  6  0.0000  0.0000  0.2023  1
  Cl  Cl2  6  0.0000  0.0000  0.0735  1
  Cl  Cl3  6  0.0000  0.0000  0.6805  1
]