data_[Tb8Y4Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  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 [3.8333]
_cell_length_b [16.7550]
_cell_length_c [11.4133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb2YCuS5]
_chemical_formula_sum '[Tb8 Y4 Cu4 S20]'
_cell_volume [733.0345]
_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  0.1062  0.6846  1.0
  Tb  Tb1  4  0.0000  0.1196  0.3083  1.0
  Y  Y2  4  0.0000  0.1949  0.0101  1.0
  Cu  Cu3  4  0.0000  0.4422  0.4554  1.0
  S  S4  4  0.0000  0.0420  0.0637  1.0
  S  S5  4  0.0000  0.2895  0.6790  1.0
  S  S6  4  0.0000  0.3180  0.3433  1.0
  S  S7  4  0.0000  0.3585  0.0014  1.0
  S  S8  4  0.0000  0.4976  0.7782  1.0
]