data_[Sm2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3972]
_cell_length_b [4.0341]
_cell_length_c [8.6706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9396]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmBr3]
_chemical_formula_sum '[Sm2 Br6]'
_cell_volume [277.8164]
_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  0.2911  0.7500  0.6227  1.0
  Br  Br1  2  0.1018  0.2500  0.3856  1.0
  Br  Br2  2  0.2580  0.2500  0.8532  1.0
  Br  Br3  2  0.4315  0.7500  0.3222  1.0
]