data_[Tb4Y16Tl2]
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 [18.0770]
_cell_length_b [4.9805]
_cell_length_c [7.9249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5560]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Y8Tl]
_chemical_formula_sum '[Tb4 Y16 Tl2]'
_cell_volume [687.3601]
_cell_formula_units_Z [2]
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  0.2231  0.0000  0.6340  1.0
  Y  Y1  4  0.0452  0.0000  0.7229  1.0
  Y  Y2  4  0.0908  0.5000  0.4439  1.0
  Y  Y3  4  0.1348  0.0000  0.1775  1.0
  Y  Y4  4  0.1813  0.5000  0.9106  1.0
  Tl  Tl5  2  0.0000  0.5000  0.0000  1.0
]