data_[Cs6Sm4Bi2Te12]
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
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0542]
_cell_length_b [13.9509]
_cell_length_c [9.3196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Sm2BiTe6]
_chemical_formula_sum '[Cs6 Sm4 Bi2 Te12]'
_cell_volume [1002.7825]
_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
[
  Cs  Cs0  4  0.0000  0.1667  0.5000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm2  4  0.0000  0.3333  0.0000  1.0
  Bi  Bi3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  8  0.2313  0.1671  0.1926  1.0
  Te  Te5  4  0.2300  0.5000  0.1927  1.0
]