data_[Tb6Y3Tl6Zn6]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7341]
_cell_length_b [4.7341]
_cell_length_c [27.6181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb2Y(TlZn)2]
_chemical_formula_sum '[Tb6 Y3 Tl6 Zn6]'
_cell_volume [536.0511]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1267  1
  Y  Y1  3  0.0000  0.0000  0.0000  1
  Tl  Tl2  6  0.0000  0.0000  0.2615  1
  Zn  Zn3  6  0.0000  0.0000  0.3928  1
]