data_[Pu2Co4Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2597]
_cell_length_b [10.5366]
_cell_length_c [6.5179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu(CoBr4)2]
_chemical_formula_sum '[Pu2 Co4 Br16]'
_cell_volume [840.5440]
_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  0.0000  0.0000  1
  Co  Co1  4  0.1976  0.0000  0.6462  1
  Br  Br2  8  0.1028  0.1836  0.7630  1
  Br  Br3  4  0.1236  0.5000  0.2419  1
  Br  Br4  4  0.1889  0.0000  0.2773  1
]