data_[Tb12Ge4Se24]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.2198]
_cell_length_b [13.9853]
_cell_length_c [6.9073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb3GeSe6]
_chemical_formula_sum '[Tb12 Ge4 Se24]'
_cell_volume [1083.8482]
_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
[
  Tb  Tb0  8  0.1843  0.0978  0.0181  1.0
  Tb  Tb1  4  0.0000  0.4038  0.1118  1.0
  Ge  Ge2  4  0.0000  0.2008  0.4771  1.0
  Se  Se3  8  0.1623  0.4673  0.8161  1.0
  Se  Se4  8  0.1717  0.2684  0.2901  1.0
  Se  Se5  4  0.0000  0.0342  0.3215  1.0
  Se  Se6  4  0.0000  0.2195  0.8556  1.0
]