data_[Sm12Al2Ni4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2640]
_cell_length_b [3.9724]
_cell_length_c [9.0937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6133]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6AlNi2Br3]
_chemical_formula_sum '[Sm12 Al2 Ni4 Br6]'
_cell_volume [659.4811]
_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  0.0145  0.0000  0.2518  1
  Sm  Sm1  4  0.1634  0.5000  0.1256  1
  Sm  Sm2  4  0.1798  0.5000  0.5533  1
  Al  Al3  2  0.0000  0.5000  0.0000  1
  Ni  Ni4  4  0.1675  0.0000  0.3385  1
  Br  Br5  4  0.1625  0.0000  0.8361  1
  Br  Br6  2  0.0000  0.5000  0.5000  1
]