data_[Tb12As2Se4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5775]
_cell_length_b [4.0016]
_cell_length_c [8.0680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7071]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6AsSe2S3]
_chemical_formula_sum '[Tb12 As2 Se4 S6]'
_cell_volume [551.3289]
_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  0.0045  0.0000  0.7475  1.0
  Tb  Tb1  4  0.1602  0.5000  0.5972  1.0
  Tb  Tb2  4  0.1678  0.5000  0.0682  1.0
  As  As3  2  0.0000  0.5000  0.0000  1.0
  Se  Se4  4  0.1683  0.0000  0.3363  1.0
  S  S5  4  0.1677  0.0000  0.8338  1.0
  S  S6  2  0.0000  0.5000  0.5000  1.0
]