data_[Sm24Tl4Sb12]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [11.9614]
_cell_length_b [11.7038]
_cell_length_c [8.5979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm6TlSb3]
_chemical_formula_sum '[Sm24 Tl4 Sb12]'
_cell_volume [1203.6455]
_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  0.1583  0.5020  1.0
  Sm  Sm1  8  0.1620  0.5000  0.0000  1.0
  Sm  Sm2  8  0.2498  0.2471  0.7500  1.0
  Tl  Tl3  4  0.0000  0.3541  0.2500  1.0
  Sb  Sb4  8  0.1439  0.0029  0.2500  1.0
  Sb  Sb5  4  0.0000  0.3619  0.7500  1.0
]