data_[La8Tb4Zn4S20]
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
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9446]
_cell_length_b [17.0757]
_cell_length_c [12.1195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2TbZnS5]
_chemical_formula_sum '[La8 Tb4 Zn4 S20]'
_cell_volume [816.3240]
_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  0.1162  0.6873  1.0
  La  La1  4  0.0000  0.1294  0.3256  1.0
  Tb  Tb2  4  0.0000  0.1954  0.0192  1.0
  Zn  Zn3  4  0.0000  0.4530  0.4399  1.0
  S  S4  4  0.0000  0.0353  0.0408  1.0
  S  S5  4  0.0000  0.2946  0.6768  1.0
  S  S6  4  0.0000  0.3162  0.3592  1.0
  S  S7  4  0.0000  0.3542  0.0085  1.0
  S  S8  4  0.0000  0.4933  0.7667  1.0
]