data_[Tb4Pr8Zn4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  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 [3.9142]
_cell_length_b [17.0586]
_cell_length_c [12.0644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TbPr2ZnS5]
_chemical_formula_sum '[Tb4 Pr8 Zn4 S20]'
_cell_volume [805.5564]
_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  0.1964  0.0173  1.0
  Pr  Pr1  4  0.0000  0.1149  0.6848  1.0
  Pr  Pr2  4  0.0000  0.1313  0.3222  1.0
  Zn  Zn3  4  0.0000  0.4546  0.4437  1.0
  S  S4  4  0.0000  0.0372  0.0473  1.0
  S  S5  4  0.0000  0.2919  0.6764  1.0
  S  S6  4  0.0000  0.3171  0.3563  1.0
  S  S7  4  0.0000  0.3552  0.0061  1.0
  S  S8  4  0.0000  0.4928  0.7699  1.0
]