data_[Tb16Sm4Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7597]
_cell_length_b [5.4529]
_cell_length_c [9.8547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7497]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb4SmTl2]
_chemical_formula_sum '[Tb16 Sm4 Tl8]'
_cell_volume [862.4047]
_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
[
  Tb  Tb0  4  0.0341  0.0000  0.6882  1
  Tb  Tb1  4  0.1393  0.5000  0.3246  1
  Tb  Tb2  4  0.2023  0.5000  0.6923  1
  Tb  Tb3  4  0.2417  0.5000  0.0814  1
  Sm  Sm4  4  0.0999  0.0000  0.0728  1
  Tl  Tl5  4  0.0511  0.5000  0.8721  1
  Tl  Tl6  4  0.1588  0.0000  0.5002  1
]