data_[Ce4Pu8As16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pu  1.2800  1.7500  0.9675
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2675]
_cell_length_b [14.1878]
_cell_length_c [11.8012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce(PuAs2)2]
_chemical_formula_sum '[Ce4 Pu8 As16]'
_cell_volume [714.5142]
_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
[
  Ce  Ce0  4  0.0000  0.3901  0.2500  1
  Pu  Pu1  8  0.0000  0.1299  0.0589  1
  As  As2  8  0.0000  0.2416  0.6434  1
  As  As3  4  0.0000  0.0198  0.2500  1
  As  As4  4  0.0000  0.5000  0.0000  1
]