data_[La4U4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  U  1.3800  1.7500  0.9913
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.9936]
_cell_length_b [8.3205]
_cell_length_c [5.9960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LaUN3]
_chemical_formula_sum '[La4 U4 N12]'
_cell_volume [299.0140]
_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
[
  La  La0  4  0.0336  0.2500  0.9907  1
  U  U1  4  0.0000  0.0000  0.5000  1
  N  N2  8  0.2083  0.5518  0.2204  1
  N  N3  4  0.0262  0.7500  0.5993  1
]