data_[K2Tl2Se4O16]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.7246]
_cell_length_b [5.1615]
_cell_length_c [9.2697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KTl(SeO4)2]
_chemical_formula_sum '[K2 Tl2 Se4 O16]'
_cell_volume [402.2050]
_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  0.9885  0.5000  1.0
  Tl  Tl1  2  0.0000  0.5060  0.0000  1.0
  Se  Se2  4  0.2490  0.9978  0.2230  1.0
  O  O3  4  0.0850  0.6524  0.7934  1.0
  O  O4  4  0.0902  0.2001  0.1827  1.0
  O  O5  4  0.2229  0.7554  0.0959  1.0
  O  O6  4  0.2258  0.3972  0.6038  1.0
]