data_[Pr2Pu2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pu  1.2800  1.7500  0.9675
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [14.2307]
_cell_length_b [4.0557]
_cell_length_c [19.0671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrPuBr4]
_chemical_formula_sum '[Pr2 Pu2 Br8]'
_cell_volume [1100.4753]
_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
[
  Pr  Pr0  2  0.1454  0.7500  0.4978  1
  Pu  Pu1  2  0.3699  0.2500  0.4992  1
  Br  Br2  2  0.0394  0.2500  0.5866  1
  Br  Br3  2  0.2126  0.2500  0.3933  1
  Br  Br4  2  0.2995  0.7500  0.6017  1
  Br  Br5  2  0.4604  0.7500  0.4082  1
]