data_[K2Tl4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.1523]
_cell_length_b [28.6889]
_cell_length_c [5.6845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0274]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K(TlS5)2]
_chemical_formula_sum '[K2 Tl4 S20]'
_cell_volume [832.0161]
_cell_formula_units_Z [2]
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
[
  K  K0  2  0.0000  0.0000  0.0000  1
  Tl  Tl1  4  0.2706  0.1426  0.6972  1
  S  S2  4  0.0945  0.7215  0.4266  1
  S  S3  4  0.2238  0.5846  0.8571  1
  S  S4  4  0.2895  0.7226  0.1511  1
  S  S5  4  0.3017  0.5868  0.2203  1
  S  S6  4  0.3027  0.0946  0.1889  1
]