data_[Tb2Th4Sb4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Th  1.3000  1.8000  1.0800
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.7079]
_cell_length_b [5.7079]
_cell_length_c [15.7075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [TbTh2(SbTe)2]
_chemical_formula_sum '[Tb2 Th4 Sb4 Te4]'
_cell_volume [511.7429]
_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  0.0000  1
  Th  Th1  4  0.0000  0.0000  0.3877  1
  Sb  Sb2  4  0.0000  0.5000  0.0000  1
  Te  Te3  4  0.0000  0.0000  0.1935  1
]