data_[Cs2Sm2Tl2Te6]
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
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.1282]
_cell_length_b [4.6932]
_cell_length_c [11.6080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6134]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsSmTlTe3]
_chemical_formula_sum '[Cs2 Sm2 Tl2 Te6]'
_cell_volume [525.9058]
_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  2  0.2106  0.2500  0.2457  1.0
  Sm  Sm1  2  0.3369  0.7500  0.8770  1.0
  Tl  Tl2  2  0.0680  0.2500  0.6212  1.0
  Te  Te3  2  0.1288  0.2500  0.8916  1.0
  Te  Te4  2  0.2430  0.7500  0.5797  1.0
  Te  Te5  2  0.4648  0.7500  0.1550  1.0
]