data_[Sm16Tl8Zn24]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.3713]
_cell_length_b [9.3369]
_cell_length_c [16.1304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Sm2TlZn3]
_chemical_formula_sum '[Sm16 Tl8 Zn24]'
_cell_volume [1110.1705]
_cell_formula_units_Z [8]
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  0.2433  0.0000  0.0000  1.0
  Sm  Sm1  8  0.2500  0.2500  0.2500  1.0
  Tl  Tl2  8  0.0000  0.0000  0.3345  1.0
  Zn  Zn3  16  0.0000  0.2422  0.0799  1.0
  Zn  Zn4  8  0.0000  0.0000  0.1610  1.0
]