data_[Ac2Pu2C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pu  1.2800  1.7500  0.9675
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2464]
_cell_length_b [3.8706]
_cell_length_c [6.3002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0230]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcPuC2]
_chemical_formula_sum '[Ac2 Pu2 C4]'
_cell_volume [147.1166]
_cell_formula_units_Z [2]
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
[
  Ac  Ac0  2  0.0000  0.0000  0.5000  1
  Pu  Pu1  2  0.0000  0.5000  0.0000  1
  C  C2  4  0.2479  0.5000  0.8085  1
]