data_[Sm16Al2Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6538]
_cell_length_b [5.3983]
_cell_length_c [8.7398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9465]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm8AlTl2]
_chemical_formula_sum '[Sm16 Al2 Tl4]'
_cell_volume [673.8848]
_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  0.0661  0.0000  0.7184  1
  Sm  Sm1  4  0.0906  0.5000  0.4376  1
  Sm  Sm2  4  0.1309  0.0000  0.1764  1
  Sm  Sm3  4  0.1772  0.5000  0.9497  1
  Al  Al4  2  0.0000  0.5000  0.0000  1
  Tl  Tl5  4  0.2237  0.0000  0.6181  1
]