data_[K1Tl2S8]
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 [P-1]
_cell_length_a [5.8913]
_cell_length_b [6.2484]
_cell_length_c [9.1619]
_cell_angle_alpha [75.8006]
_cell_angle_beta [84.9251]
_cell_angle_gamma [77.5118]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K(TlS4)2]
_chemical_formula_sum '[K1 Tl2 S8]'
_cell_volume [318.9986]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Tl  Tl1  2  0.1942  0.1681  0.3423  1
  S  S2  2  0.2946  0.0649  0.6864  1
  S  S3  2  0.3052  0.6325  0.3297  1
  S  S4  2  0.3340  0.4930  0.0062  1
  S  S5  2  0.3554  0.3733  0.6919  1
]