data_[Pu4B4C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  B  2.0400  0.8500  0.4100
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2882]
_cell_length_b [2.9838]
_cell_length_c [5.0697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3585]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2B2C3]
_chemical_formula_sum '[Pu4 B4 C6]'
_cell_volume [155.6295]
_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
[
  Pu  Pu0  4  0.1342  0.5000  0.2544  1
  B  B1  4  0.1088  0.0000  0.7910  1
  C  C2  4  0.1724  0.5000  0.7340  1
  C  C3  2  0.0000  0.0000  0.0000  1
]