data_[Tb12Sb4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.6441]
_cell_length_b [13.4117]
_cell_length_c [6.8225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb3SbS6]
_chemical_formula_sum '[Tb12 Sb4 S24]'
_cell_volume [973.9426]
_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  0.1852  0.1006  0.0174  1.0
  Tb  Tb1  4  0.0000  0.4044  0.1105  1.0
  Sb  Sb2  4  0.0000  0.1783  0.4993  1.0
  S  S3  8  0.1651  0.4705  0.8173  1.0
  S  S4  8  0.1673  0.2663  0.3019  1.0
  S  S5  4  0.0000  0.0108  0.2524  1.0
  S  S6  4  0.0000  0.2310  0.8792  1.0
]