data_[Pu4Te4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8147]
_cell_length_b [4.3734]
_cell_length_c [7.5872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3695]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuTeBr]
_chemical_formula_sum '[Pu4 Te4 Br4]'
_cell_volume [466.0234]
_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  0.2496  0.0000  0.2457  1
  Te  Te1  4  0.1264  0.0000  0.7963  1
  Br  Br2  4  0.1384  0.5000  0.3121  1
]