data_[Sm8Br12]
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 [C2/m]
_cell_length_a [17.4443]
_cell_length_b [4.0483]
_cell_length_c [11.2690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.4646]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Br3]
_chemical_formula_sum '[Sm8 Br12]'
_cell_volume [678.7954]
_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
[
  Sm  Sm0  4  0.0796  0.5000  0.9545  1.0
  Sm  Sm1  4  0.1377  0.0000  0.2876  1.0
  Br  Br2  4  0.0390  0.0000  0.7382  1.0
  Br  Br3  4  0.1617  0.5000  0.5059  1.0
  Br  Br4  4  0.2220  0.0000  0.1211  1.0
]