data_[Tb12Ge4P6S2]
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
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7678]
_cell_length_b [3.9753]
_cell_length_c [8.2578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6478]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6Ge2P3S]
_chemical_formula_sum '[Tb12 Ge4 P6 S2]'
_cell_volume [566.7990]
_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  0.0014  0.0000  0.7467  1.0
  Tb  Tb1  4  0.1637  0.5000  0.5924  1.0
  Tb  Tb2  4  0.1667  0.5000  0.0744  1.0
  Ge  Ge3  4  0.1665  0.0000  0.3332  1.0
  P  P4  4  0.1647  0.0000  0.8352  1.0
  P  P5  2  0.0000  0.5000  0.5000  1.0
  S  S6  2  0.0000  0.5000  0.0000  1.0
]