data_[Tb4Ag6Ge2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ag  1.9300  1.6000  1.0867
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6314]
_cell_length_b [4.0946]
_cell_length_c [7.9705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Ag3GeSe6]
_chemical_formula_sum '[Tb4 Ag6 Ge2 Se12]'
_cell_volume [566.1043]
_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  4  0.1654  0.0000  0.3243  1.0
  Ag  Ag1  4  0.1762  0.0000  0.8279  1.0
  Ag  Ag2  2  0.0000  0.5000  0.5000  1.0
  Ge  Ge3  2  0.0000  0.5000  0.0000  1.0
  Se  Se4  4  0.0016  0.0000  0.7579  1.0
  Se  Se5  4  0.1599  0.5000  0.0710  1.0
  Se  Se6  4  0.1670  0.5000  0.5798  1.0
]