data_[K8Y4Tl4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.2991]
_cell_length_b [8.3674]
_cell_length_c [12.0301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [K2YTlS4]
_chemical_formula_sum '[K8 Y4 Tl4 S16]'
_cell_volume [835.3929]
_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  0.0000  0.0000  0.0000  1.0
  K  K1  4  0.2500  0.2500  0.2500  1.0
  Y  Y2  4  0.2500  0.2500  0.7500  1.0
  Tl  Tl3  4  0.0000  0.0000  0.5000  1.0
  S  S4  8  0.0000  0.0306  0.7418  1.0
  S  S5  8  0.2197  0.2500  0.5147  1.0
]