data_[Cs8Sm12Br40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [27.3334]
_cell_length_b [8.0756]
_cell_length_c [11.4361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Sm3Br10]
_chemical_formula_sum '[Cs8 Sm12 Br40]'
_cell_volume [2345.0035]
_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
[
  Cs  Cs0  4  0.1204  0.5000  0.7318  1
  Cs  Cs1  4  0.2284  0.5000  0.3374  1
  Sm  Sm2  4  0.0000  0.2661  0.0000  1
  Sm  Sm3  4  0.0772  0.0000  0.4728  1
  Sm  Sm4  4  0.1796  0.0000  0.0295  1
  Br  Br5  8  0.1124  0.2661  0.0438  1
  Br  Br6  8  0.1458  0.2529  0.4770  1
  Br  Br7  4  0.0000  0.2373  0.5000  1
  Br  Br8  4  0.0149  0.5000  0.2015  1
  Br  Br9  4  0.0200  0.0000  0.2001  1
  Br  Br10  4  0.1264  0.0000  0.7523  1
  Br  Br11  4  0.2348  0.0000  0.2863  1
  Br  Br12  4  0.2500  0.2500  0.0000  1
]