data_[Sm12Tl10Te2]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.2415]
_cell_length_b [15.7223]
_cell_length_c [8.4226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sm6Tl5Te]
_chemical_formula_sum '[Sm12 Tl10 Te2]'
_cell_volume [694.0974]
_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  8  0.0000  0.1625  0.2513  1.0
  Sm  Sm1  4  0.0000  0.5000  0.2459  1.0
  Tl  Tl2  4  0.0000  0.3233  0.0000  1.0
  Tl  Tl3  4  0.0000  0.3329  0.5000  1.0
  Tl  Tl4  2  0.0000  0.0000  0.5000  1.0
  Te  Te5  2  0.0000  0.0000  0.0000  1.0
]