data_[Li4Ce4Pu8N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Pu  1.2800  1.7500  0.9675
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4610]
_cell_length_b [11.2328]
_cell_length_c [11.2144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiCePu2N4]
_chemical_formula_sum '[Li4 Ce4 Pu8 N16]'
_cell_volume [435.9806]
_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
[
  Li  Li0  4  0.0000  0.1596  0.2500  1
  Ce  Ce1  4  0.0000  0.1067  0.7500  1
  Pu  Pu2  8  0.0000  0.3697  0.5578  1
  N  N3  8  0.0000  0.2674  0.1134  1
  N  N4  4  0.0000  0.0000  0.0000  1
  N  N5  4  0.0000  0.4513  0.7500  1
]