data_[Sm20Al8Tl8]
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 [Cmce]
_cell_length_a [16.4854]
_cell_length_b [8.2222]
_cell_length_c [7.8575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sm5(AlTl)2]
_chemical_formula_sum '[Sm20 Al8 Tl8]'
_cell_volume [1065.0567]
_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  16  0.1332  0.1888  0.6759  1.0
  Sm  Sm1  4  0.0000  0.0000  0.0000  1.0
  Al  Al2  8  0.0000  0.1165  0.3841  1.0
  Tl  Tl3  8  0.2182  0.0000  0.0000  1.0
]