data_[Zr4Tl8Sn4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8395]
_cell_length_b [18.5198]
_cell_length_c [14.2970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [ZrTl2SnS5]
_chemical_formula_sum '[Zr4 Tl8 Sn4 S20]'
_cell_volume [1016.6211]
_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
[
  Zr  Zr0  4  0.0000  0.2178  0.0324  1.0
  Tl  Tl1  4  0.0000  0.1256  0.6671  1.0
  Tl  Tl2  4  0.0000  0.1344  0.3230  1.0
  Sn  Sn3  4  0.0000  0.4395  0.4249  1.0
  S  S4  4  0.0000  0.0536  0.0353  1.0
  S  S5  4  0.0000  0.2942  0.6474  1.0
  S  S6  4  0.0000  0.3081  0.4014  1.0
  S  S7  4  0.0000  0.3442  0.0064  1.0
  S  S8  4  0.0000  0.4949  0.7862  1.0
]