data_[Pu2W2C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  W  2.3600  1.3500  0.7667
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.0976]
_cell_length_b [6.4515]
_cell_length_c [5.4654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [PuWC2]
_chemical_formula_sum '[Pu2 W2 C4]'
_cell_volume [109.2205]
_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  2  0.0000  0.1450  0.3596  1
  W  W1  2  0.5000  0.4044  0.9126  1
  C  C2  2  0.0000  0.4693  0.6417  1
  C  C3  2  0.5000  0.1150  0.0194  1
]