data_[Ba8Tb4Ge4S20]
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
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3301]
_cell_length_b [17.9543]
_cell_length_c [12.7534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2TbGeS5]
_chemical_formula_sum '[Ba8 Tb4 Ge4 S20]'
_cell_volume [991.5026]
_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  0.1197  0.6864  1.0
  Ba  Ba1  4  0.0000  0.1270  0.3299  1.0
  Tb  Tb2  4  0.0000  0.2026  0.0283  1.0
  Ge  Ge3  4  0.0000  0.4457  0.4373  1.0
  S  S4  4  0.0000  0.0417  0.0126  1.0
  S  S5  4  0.0000  0.2994  0.6639  1.0
  S  S6  4  0.0000  0.3189  0.3796  1.0
  S  S7  4  0.0000  0.3484  0.0095  1.0
  S  S8  4  0.0000  0.4999  0.7765  1.0
]