data_[Tb12Te2C4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Te  2.1000  1.4000  1.2933
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1025]
_cell_length_b [3.8568]
_cell_length_c [8.0273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0820]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6TeC2S3]
_chemical_formula_sum '[Tb12 Te2 C4 S6]'
_cell_volume [517.7530]
_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  0.0238  0.0000  0.2859  1
  Tb  Tb1  4  0.1764  0.5000  0.5674  1
  Tb  Tb2  4  0.1788  0.5000  0.1326  1
  Te  Te3  2  0.0000  0.5000  0.0000  1
  C  C4  4  0.1714  0.0000  0.3408  1
  S  S5  4  0.1610  0.0000  0.8355  1
  S  S6  2  0.0000  0.5000  0.5000  1
]