data_[K2Tl6O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.9955]
_cell_length_b [7.4225]
_cell_length_c [17.9994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KTl3O2]
_chemical_formula_sum '[K2 Tl6 O4]'
_cell_volume [934.5927]
_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  0.2413  0.5000  0.4191  1
  Tl  Tl1  4  0.3627  0.2569  0.5857  1
  Tl  Tl2  2  0.2318  0.0000  0.4217  1
  O  O3  4  0.1033  0.2310  0.4939  1
]