data_[Tb12Ge4S24]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.7165]
_cell_length_b [13.3626]
_cell_length_c [6.6229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb3GeS6]
_chemical_formula_sum '[Tb12 Ge4 S24]'
_cell_volume [948.4030]
_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  0.1855  0.0990  0.9803  1.0
  Tb  Tb1  4  0.0000  0.4018  0.8978  1.0
  Ge  Ge2  4  0.0000  0.1997  0.5215  1.0
  S  S3  8  0.1618  0.4713  0.1885  1.0
  S  S4  8  0.1684  0.2671  0.7033  1.0
  S  S5  4  0.0000  0.0360  0.6744  1.0
  S  S6  4  0.0000  0.2180  0.1475  1.0
]