data_[K3Tl6V6O21]
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
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [5.9042]
_cell_length_b [5.9042]
_cell_length_c [24.5155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [KTl2V2O7]
_chemical_formula_sum '[K3 Tl6 V6 O21]'
_cell_volume [740.1131]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  6  0.0000  0.0000  0.2890  1.0
  V  V2  6  0.0000  0.0000  0.0742  1.0
  O  O3  18  0.0293  0.2919  0.9045  1.0
  O  O4  3  0.0000  0.0000  0.0000  1.0
]