data_[Pu4Co4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Co  1.8800  1.3500  0.7683
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P4_12_12]
_cell_length_a [5.3361]
_cell_length_b [5.3361]
_cell_length_c [5.8331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [92]
_chemical_formula_structural [PuCoC]
_chemical_formula_sum '[Pu4 Co4 C4]'
_cell_volume [166.0928]
_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
[
  Pu  Pu0  4  0.2492  0.7508  0.7500  1
  Co  Co1  4  0.1648  0.8352  0.2500  1
  C  C2  4  0.0866  0.0866  0.0000  1
]