data_[Tb12Te6As4S2]
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
  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 [18.6144]
_cell_length_b [4.1730]
_cell_length_c [8.5472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4343]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6Te3As2S]
_chemical_formula_sum '[Tb12 Te6 As4 S2]'
_cell_volume [639.9876]
_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  0.0060  0.0000  0.2213  1.0
  Tb  Tb1  4  0.1542  0.5000  0.0962  1.0
  Tb  Tb2  4  0.1733  0.5000  0.5648  1.0
  Te  Te3  4  0.1683  0.0000  0.8341  1.0
  Te  Te4  2  0.0000  0.5000  0.5000  1.0
  As  As5  4  0.1663  0.0000  0.3313  1.0
  S  S6  2  0.0000  0.5000  0.0000  1.0
]