data_[Sm24Al8Tl4]
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 [Immm]
_cell_length_a [9.9534]
_cell_length_b [10.0451]
_cell_length_c [10.8240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sm6Al2Tl]
_chemical_formula_sum '[Sm24 Al8 Tl4]'
_cell_volume [1082.2041]
_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  8  0.0000  0.2893  0.3216  1
  Sm  Sm1  8  0.1841  0.2759  0.0000  1
  Sm  Sm2  8  0.2036  0.0000  0.2433  1
  Al  Al3  4  0.0000  0.5000  0.1210  1
  Al  Al4  4  0.1381  0.5000  0.5000  1
  Tl  Tl5  2  0.0000  0.0000  0.0000  1
  Tl  Tl6  2  0.0000  0.0000  0.5000  1
]