data_[Tb2Zr4Tl4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2285]
_cell_length_b [12.5336]
_cell_length_c [8.7238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3732]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbZr2(TlTe3)2]
_chemical_formula_sum '[Tb2 Zr4 Tl4 Te12]'
_cell_volume [762.0921]
_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  2  0.0000  0.0000  0.5000  1
  Zr  Zr1  4  0.0000  0.3320  0.5000  1
  Tl  Tl2  4  0.0000  0.1603  0.0000  1
  Te  Te3  8  0.2417  0.1727  0.7112  1
  Te  Te4  4  0.2170  0.5000  0.7107  1
]