data_[Tb8Ce4Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8154]
_cell_length_b [18.1428]
_cell_length_c [11.1109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb2CeCuS5]
_chemical_formula_sum '[Tb8 Ce4 Cu4 S20]'
_cell_volume [769.1184]
_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  0.0909  0.6837  1.0
  Tb  Tb1  4  0.0000  0.1111  0.3103  1.0
  Ce  Ce2  4  0.0000  0.1983  0.0083  1.0
  Cu  Cu3  4  0.0000  0.4372  0.4504  1.0
  S  S4  4  0.0000  0.0494  0.0611  1.0
  S  S5  4  0.0000  0.3016  0.6936  1.0
  S  S6  4  0.0000  0.3309  0.3313  1.0
  S  S7  4  0.0000  0.3606  0.0057  1.0
  S  S8  4  0.0000  0.4952  0.7794  1.0
]