data_[Sm4Pu2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Pu  1.2800  1.7500  0.9675
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.6974]
_cell_length_b [3.7825]
_cell_length_c [19.3680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2PuBr6]
_chemical_formula_sum '[Sm4 Pu2 Br12]'
_cell_volume [1662.8027]
_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
[
  Sm  Sm0  4  0.1572  0.0000  0.5232  1
  Pu  Pu1  2  0.0000  0.5000  0.5000  1
  Br  Br2  4  0.0885  0.5000  0.6128  1
  Br  Br3  4  0.1108  0.5000  0.4184  1
  Br  Br4  4  0.2445  0.5000  0.5841  1
]