data_[Sm2Pu2Br10]
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 [P2_1/m]
_cell_length_a [8.4838]
_cell_length_b [4.1115]
_cell_length_c [13.8061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8691]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmPuBr5]
_chemical_formula_sum '[Sm2 Pu2 Br10]'
_cell_volume [480.4726]
_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  2  0.4190  0.7500  0.3446  1
  Pu  Pu1  2  0.0900  0.2500  0.1424  1
  Br  Br2  2  0.0725  0.7500  0.3069  1
  Br  Br3  2  0.1485  0.2500  0.9289  1
  Br  Br4  2  0.3192  0.2500  0.4822  1
  Br  Br5  2  0.3513  0.7500  0.1317  1
  Br  Br6  2  0.3654  0.7500  0.7091  1
]