data_[Tb8Sc4Ag4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sc  1.3600  1.6000  0.8850
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2703]
_cell_length_b [18.4587]
_cell_length_c [13.0837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb2ScAgTe5]
_chemical_formula_sum '[Tb8 Sc4 Ag4 Te20]'
_cell_volume [1031.3025]
_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
[
  Tb  Tb0  4  0.0000  0.1120  0.6867  1.0
  Tb  Tb1  4  0.0000  0.1277  0.3028  1.0
  Sc  Sc2  4  0.0000  0.1894  0.0108  1.0
  Ag  Ag3  4  0.0000  0.4286  0.4599  1.0
  Te  Te4  4  0.0000  0.0433  0.0790  1.0
  Te  Te5  4  0.0000  0.2851  0.6630  1.0
  Te  Te6  4  0.0000  0.3027  0.3424  1.0
  Te  Te7  4  0.0000  0.3521  0.9992  1.0
  Te  Te8  4  0.0000  0.4977  0.7802  1.0
]