data_[Y20Tl8H4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [4.1248]
_cell_length_b [17.7248]
_cell_length_c [12.3749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Y5Tl2HS]
_chemical_formula_sum '[Y20 Tl8 H4 S4]'
_cell_volume [904.7441]
_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
[
  Y  Y0  4  0.0000  0.0415  0.0098  1.0
  Y  Y1  4  0.0000  0.3052  0.3760  1.0
  Y  Y2  4  0.0000  0.3065  0.6693  1.0
  Y  Y3  4  0.0000  0.3548  0.0197  1.0
  Y  Y4  4  0.0000  0.4979  0.2656  1.0
  Tl  Tl5  4  0.0000  0.1212  0.3327  1.0
  Tl  Tl6  4  0.0000  0.1266  0.7064  1.0
  H  H7  4  0.0000  0.4308  0.4223  1.0
  S  S8  4  0.0000  0.1997  0.0221  1.0
]