data_[Ba4Ca8U4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  U  1.3800  1.7500  0.9913
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.0309]
_cell_length_b [7.2518]
_cell_length_c [10.8188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [BaCa2UN4]
_chemical_formula_sum '[Ba4 Ca8 U4 N16]'
_cell_volume [551.6139]
_cell_formula_units_Z [4]
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  4  0.2500  0.2500  0.2500  1
  Ca  Ca1  4  0.0000  0.0000  0.0000  1
  Ca  Ca2  4  0.2500  0.2500  0.7500  1
  U  U3  4  0.0000  0.0000  0.5000  1
  N  N4  8  0.0000  0.0192  0.6863  1
  N  N5  8  0.2337  0.2500  0.5040  1
]