data_[Tb12Sn2Ge4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9237]
_cell_length_b [4.0819]
_cell_length_c [8.2754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6474]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6SnGe2S3]
_chemical_formula_sum '[Tb12 Sn2 Ge4 S6]'
_cell_volume [588.3563]
_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  0.0005  0.0000  0.7332  1.0
  Tb  Tb1  4  0.1685  0.5000  0.5815  1.0
  Tb  Tb2  4  0.1725  0.5000  0.0885  1.0
  Sn  Sn3  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge4  4  0.1659  0.0000  0.3325  1.0
  S  S5  4  0.1667  0.0000  0.8314  1.0
  S  S6  2  0.0000  0.5000  0.5000  1.0
]