data_[Tb12Y4Tl8]
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 [C2/m]
_cell_length_a [16.5561]
_cell_length_b [5.3520]
_cell_length_c [9.3415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2814]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3YTl2]
_chemical_formula_sum '[Tb12 Y4 Tl8]'
_cell_volume [714.7989]
_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  0.0577  0.0000  0.7151  1
  Tb  Tb1  4  0.1168  0.5000  0.5450  1
  Tb  Tb2  4  0.1931  0.5000  0.9947  1
  Y  Y3  4  0.1297  0.0000  0.1714  1
  Tl  Tl4  4  0.0214  0.5000  0.1730  1
  Tl  Tl5  4  0.2246  0.0000  0.5934  1
]