data_[Sm4Tl2In6Te12]
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
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.2590]
_cell_length_b [4.4359]
_cell_length_c [9.4885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8855]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Tl(InTe2)3]
_chemical_formula_sum '[Sm4 Tl2 In6 Te12]'
_cell_volume [834.4217]
_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  0.1709  0.0000  0.3432  1.0
  Tl  Tl1  2  0.0000  0.5000  0.0000  1.0
  In  In2  4  0.1674  0.0000  0.8449  1.0
  In  In3  2  0.0000  0.5000  0.5000  1.0
  Te  Te4  4  0.0104  0.0000  0.2876  1.0
  Te  Te5  4  0.1687  0.5000  0.5807  1.0
  Te  Te6  4  0.1709  0.5000  0.1126  1.0
]