data_[Tb12Si2Ge4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Si  1.9000  1.1000  0.5400
  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 [18.1108]
_cell_length_b [4.1388]
_cell_length_c [8.3176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9934]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6SiGe2Se3]
_chemical_formula_sum '[Tb12 Si2 Ge4 Se6]'
_cell_volume [604.9647]
_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  0.0022  0.0000  0.2415  1.0
  Tb  Tb1  4  0.1635  0.5000  0.0891  1.0
  Tb  Tb2  4  0.1689  0.5000  0.5766  1.0
  Si  Si3  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge4  4  0.1666  0.0000  0.3331  1.0
  Se  Se5  4  0.1668  0.0000  0.8333  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]