data_[Ba24U8N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  U  1.3800  1.7500  0.9913
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.9979]
_cell_length_b [10.2978]
_cell_length_c [9.9128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ba3UN3]
_chemical_formula_sum '[Ba24 U8 N24]'
_cell_volume [1633.0492]
_cell_formula_units_Z [8]
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
[
  Ba  Ba0  16  0.1739  0.1681  0.6190  1
  Ba  Ba1  8  0.0000  0.2012  0.3459  1
  U  U2  8  0.1082  0.5000  0.5000  1
  N  N3  16  0.1487  0.1561  0.8942  1
  N  N4  8  0.0000  0.1030  0.0826  1
]