data_[Tb12Te8S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2786]
_cell_length_b [12.5992]
_cell_length_c [7.4141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0798]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Te2S]
_chemical_formula_sum '[Tb12 Te8 S4]'
_cell_volume [642.5612]
_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  0.2464  0.3197  0.7840  1
  Tb  Tb1  4  0.2072  0.5000  0.2071  1
  Te  Te2  4  0.0000  0.1568  0.5000  1
  Te  Te3  2  0.0000  0.0000  0.0000  1
  Te  Te4  2  0.0000  0.5000  0.5000  1
  S  S5  4  0.0000  0.3312  0.0000  1
]