data_[Sm2Tl2Cd2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.5291]
_cell_length_b [4.5481]
_cell_length_c [10.5644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9319]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmTlCdTe3]
_chemical_formula_sum '[Sm2 Tl2 Cd2 Te6]'
_cell_volume [440.2716]
_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  2  0.3255  0.7500  0.8591  1.0
  Tl  Tl1  2  0.2074  0.2500  0.2192  1.0
  Cd  Cd2  2  0.0851  0.2500  0.6059  1.0
  Te  Te3  2  0.0992  0.2500  0.8774  1.0
  Te  Te4  2  0.2320  0.7500  0.5328  1.0
  Te  Te5  2  0.4544  0.7500  0.1640  1.0
]