data_[Sm12In2Si4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0520]
_cell_length_b [4.2060]
_cell_length_c [8.8637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4662]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6InSi2Br3]
_chemical_formula_sum '[Sm12 In2 Si4 Br6]'
_cell_volume [690.7558]
_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  0.0135  0.0000  0.2571  1.0
  Sm  Sm1  4  0.1653  0.5000  0.1215  1.0
  Sm  Sm2  4  0.1773  0.5000  0.5682  1.0
  In  In3  2  0.0000  0.5000  0.0000  1.0
  Si  Si4  4  0.1681  0.0000  0.3419  1.0
  Br  Br5  4  0.1687  0.0000  0.8369  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]