data_[K4Tl4S4O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8736]
_cell_length_b [8.6529]
_cell_length_c [7.9032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7070]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KTlSO]
_chemical_formula_sum '[K4 Tl4 S4 O4]'
_cell_volume [399.6800]
_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
[
  K  K0  4  0.1618  0.7254  0.0073  1
  Tl  Tl1  4  0.3412  0.0837  0.2026  1
  S  S2  4  0.1944  0.0708  0.7972  1
  O  O3  4  0.4222  0.1655  0.9040  1
]