data_[Tb4Dy8Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Dy  1.2200  1.7500  1.1310
  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 [3.8254]
_cell_length_b [16.8567]
_cell_length_c [11.3846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TbDy2CuS5]
_chemical_formula_sum '[Tb4 Dy8 Cu4 S20]'
_cell_volume [734.1138]
_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  0.1948  0.0098  1.0
  Dy  Dy1  4  0.0000  0.1051  0.6838  1.0
  Dy  Dy2  4  0.0000  0.1182  0.3077  1.0
  Cu  Cu3  4  0.0000  0.4416  0.4556  1.0
  S  S4  4  0.0000  0.0420  0.0644  1.0
  S  S5  4  0.0000  0.2907  0.6808  1.0
  S  S6  4  0.0000  0.3201  0.3417  1.0
  S  S7  4  0.0000  0.3586  0.0016  1.0
  S  S8  4  0.0000  0.4974  0.7785  1.0
]