data_[Pu4Mo4Br4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Mo  2.1600  1.4500  0.7750
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [11.8114]
_cell_length_b [7.3550]
_cell_length_c [7.3830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PuMoBrO5]
_chemical_formula_sum '[Pu4 Mo4 Br4 O20]'
_cell_volume [621.9668]
_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  0.2644  0.0830  0.1130  1
  Mo  Mo1  4  0.3864  0.5686  0.1955  1
  Br  Br2  4  0.1201  0.1184  0.3851  1
  O  O3  4  0.1269  0.5179  0.4930  1
  O  O4  4  0.3146  0.0883  0.8237  1
  O  O5  4  0.3183  0.7108  0.6583  1
  O  O6  4  0.3790  0.0348  0.4800  1
  O  O7  4  0.4621  0.1089  0.1805  1
]