data_[Ce4Pu8Cr4C16]
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
  Cr  1.6600  1.4000  0.9400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4953]
_cell_length_b [11.4922]
_cell_length_c [12.0023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CePu2CrC4]
_chemical_formula_sum '[Ce4 Pu8 Cr4 C16]'
_cell_volume [482.1146]
_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  0.1039  0.7500  1
  Pu  Pu1  8  0.0000  0.3687  0.5442  1
  Cr  Cr2  4  0.0000  0.1642  0.2500  1
  C  C3  8  0.0000  0.2624  0.1301  1
  C  C4  4  0.0000  0.0000  0.0000  1
  C  C5  4  0.0000  0.4179  0.7500  1
]