data_[Tb12Y12Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.1971]
_cell_length_b [12.0033]
_cell_length_c [15.8649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tb3Y3Tl2]
_chemical_formula_sum '[Tb12 Y12 Tl8]'
_cell_volume [989.6886]
_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  8  0.0000  0.3610  0.5302  1
  Tb  Tb1  4  0.0000  0.4522  0.2500  1
  Y  Y2  8  0.0000  0.0396  0.6055  1
  Y  Y3  4  0.0000  0.2653  0.7500  1
  Tl  Tl4  8  0.0000  0.2247  0.1383  1
]