data_[Ba4Tb4Ag4Te12]
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
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.5289]
_cell_length_b [4.7251]
_cell_length_c [13.1549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [BaTbAgTe3]
_chemical_formula_sum '[Ba4 Tb4 Ag4 Te12]'
_cell_volume [778.7773]
_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  0.1957  0.7500  0.5153  1
  Tb  Tb1  4  0.0220  0.7500  0.8142  1
  Ag  Ag2  4  0.2414  0.2500  0.7140  1
  Te  Te3  4  0.0308  0.2500  0.6488  1
  Te  Te4  4  0.0904  0.7500  0.0655  1
  Te  Te5  4  0.2258  0.2500  0.3197  1
]