data_[La8Tb4Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  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 [3.9664]
_cell_length_b [16.5563]
_cell_length_c [12.0299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2TbCuS5]
_chemical_formula_sum '[La8 Tb4 Cu4 S20]'
_cell_volume [789.9942]
_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
[
  La  La0  4  0.0000  0.1163  0.3452  1.0
  La  La1  4  0.0000  0.1168  0.6942  1.0
  Tb  Tb2  4  0.0000  0.1802  0.0249  1.0
  Cu  Cu3  4  0.0000  0.4481  0.4256  1.0
  S  S4  4  0.0000  0.0177  0.0142  1.0
  S  S5  4  0.0000  0.3019  0.6836  1.0
  S  S6  4  0.0000  0.3115  0.3640  1.0
  S  S7  4  0.0000  0.3453  0.0191  1.0
  S  S8  4  0.0000  0.4953  0.7531  1.0
]