data_[Tb20Tl8H4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1580]
_cell_length_b [17.7785]
_cell_length_c [12.3701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb5Tl2HS]
_chemical_formula_sum '[Tb20 Tl8 H4 S4]'
_cell_volume [914.4320]
_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  0.0421  0.0083  1.0
  Tb  Tb1  4  0.0000  0.3047  0.3759  1.0
  Tb  Tb2  4  0.0000  0.3064  0.6696  1.0
  Tb  Tb3  4  0.0000  0.3554  0.0200  1.0
  Tb  Tb4  4  0.0000  0.4983  0.2662  1.0
  Tl  Tl5  4  0.0000  0.1214  0.3328  1.0
  Tl  Tl6  4  0.0000  0.1258  0.7069  1.0
  H  H7  4  0.0000  0.4300  0.4223  1.0
  S  S8  4  0.0000  0.2003  0.0220  1.0
]