data_[Ba8Tb4Cd4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tb  1.1000  1.7500  0.9815
  Cd  1.6900  1.5500  1.0900
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6024]
_cell_length_b [20.3748]
_cell_length_c [14.1680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2TbCdTe5]
_chemical_formula_sum '[Ba8 Tb4 Cd4 Te20]'
_cell_volume [1328.5778]
_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
[
  Ba  Ba0  4  0.0000  0.1170  0.6888  1.0
  Ba  Ba1  4  0.0000  0.1275  0.3180  1.0
  Tb  Tb2  4  0.0000  0.2055  0.0165  1.0
  Cd  Cd3  4  0.0000  0.4429  0.4409  1.0
  Te  Te4  4  0.0000  0.0533  0.0583  1.0
  Te  Te5  4  0.0000  0.2921  0.6639  1.0
  Te  Te6  4  0.0000  0.3052  0.3654  1.0
  Te  Te7  4  0.0000  0.3548  0.0071  1.0
  Te  Te8  4  0.0000  0.4967  0.7652  1.0
]