data_[Sm4Tl8In4Te16]
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 [Imma]
_cell_length_a [9.1694]
_cell_length_b [9.2143]
_cell_length_c [13.2170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [SmTl2InTe4]
_chemical_formula_sum '[Sm4 Tl8 In4 Te16]'
_cell_volume [1116.6933]
_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
[
  Sm  Sm0  4  0.2500  0.2500  0.7500  1.0
  Tl  Tl1  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.2500  0.2500  0.2500  1.0
  In  In3  4  0.0000  0.0000  0.5000  1.0
  Te  Te4  8  0.0000  0.0173  0.7387  1.0
  Te  Te5  8  0.2243  0.2500  0.5086  1.0
]