data_[K1Tl3Se2O8]
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 [P-3m1]
_cell_length_a [6.2508]
_cell_length_b [6.2508]
_cell_length_c [8.1420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [KTl3(SeO4)2]
_chemical_formula_sum '[K1 Tl3 Se2 O8]'
_cell_volume [275.5122]
_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  0.5000  1.0
  Tl  Tl1  2  0.3333  0.6667  0.3088  1.0
  Tl  Tl2  1  0.0000  0.0000  0.0000  1.0
  Se  Se3  2  0.3333  0.6667  0.7933  1.0
  O  O4  6  0.1873  0.3746  0.7217  1.0
  O  O5  2  0.3333  0.6667  0.9981  1.0
]