data_[Tb8Se8S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0256]
_cell_length_b [17.1768]
_cell_length_c [7.2215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb2Se2S]
_chemical_formula_sum '[Tb8 Se8 S4]'
_cell_volume [499.3440]
_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  4  0.0000  0.1849  0.5947  1
  Tb  Tb1  4  0.0000  0.4486  0.5627  1
  Se  Se2  4  0.0000  0.0350  0.7667  1
  Se  Se3  4  0.0000  0.1924  0.0194  1
  S  S4  4  0.0000  0.3901  0.9221  1
]