data_[Tb12Te6C2S4]
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 [6.9921]
_cell_length_b [12.0600]
_cell_length_c [7.3410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3359]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6Te3CS2]
_chemical_formula_sum '[Tb12 Te6 C2 S4]'
_cell_volume [587.6012]
_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  8  0.2192  0.1534  0.1975  1.0
  Tb  Tb1  4  0.2385  0.0000  0.7973  1.0
  Te  Te2  4  0.0000  0.1736  0.5000  1.0
  Te  Te3  2  0.0000  0.5000  0.5000  1.0
  C  C4  2  0.0000  0.0000  0.0000  1.0
  S  S5  4  0.0000  0.3345  0.0000  1.0
]