data_[Tb16Ge4As4S8]
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 [Imma]
_cell_length_a [8.1102]
_cell_length_b [8.1127]
_cell_length_c [11.4764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Tb4GeAsS2]
_chemical_formula_sum '[Tb16 Ge4 As4 S8]'
_cell_volume [755.0938]
_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  0.0000  0.0015  0.7506  1.0
  Tb  Tb1  8  0.2496  0.2500  0.9983  1.0
  Ge  Ge2  4  0.2500  0.2500  0.7500  1.0
  As  As3  4  0.0000  0.0000  0.5000  1.0
  S  S4  4  0.0000  0.0000  0.0000  1.0
  S  S5  4  0.2500  0.2500  0.2500  1.0
]