data_[Tb12Ge4As6S2]
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
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9789]
_cell_length_b [4.0725]
_cell_length_c [8.3021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1662]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6Ge2As3S]
_chemical_formula_sum '[Tb12 Ge4 As6 S2]'
_cell_volume [591.8910]
_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  0.0004  0.0000  0.2496  1.0
  Tb  Tb1  4  0.1650  0.5000  0.0802  1.0
  Tb  Tb2  4  0.1659  0.5000  0.5862  1.0
  Ge  Ge3  4  0.1658  0.0000  0.3318  1.0
  As  As4  4  0.1651  0.0000  0.8346  1.0
  As  As5  2  0.0000  0.5000  0.5000  1.0
  S  S6  2  0.0000  0.5000  0.0000  1.0
]