data_[Tb12Ge2Te4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3158]
_cell_length_b [12.6911]
_cell_length_c [7.2670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6GeTe2Se3]
_chemical_formula_sum '[Tb12 Ge2 Te4 Se6]'
_cell_volume [635.4620]
_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  8  0.2402  0.1534  0.2606  1.0
  Tb  Tb1  4  0.2183  0.0000  0.7352  1.0
  Ge  Ge2  2  0.0000  0.0000  0.0000  1.0
  Te  Te3  4  0.0000  0.3349  0.0000  1.0
  Se  Se4  4  0.0000  0.1759  0.5000  1.0
  Se  Se5  2  0.0000  0.5000  0.5000  1.0
]