data_[K20Tl4O12]
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 [C2/m]
_cell_length_a [11.9487]
_cell_length_b [9.0376]
_cell_length_c [9.9937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5082]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K5TlO3]
_chemical_formula_sum '[K20 Tl4 O12]'
_cell_volume [981.9551]
_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  8  0.1636  0.1844  0.6615  1.0
  K  K1  4  0.0000  0.3108  0.0000  1.0
  K  K2  4  0.0691  0.5000  0.3748  1.0
  K  K3  4  0.2294  0.0000  0.0225  1.0
  Tl  Tl4  4  0.1133  0.0000  0.2776  1.0
  O  O5  4  0.1638  0.5000  0.1699  1.0
  O  O6  4  0.1762  0.5000  0.6822  1.0
  O  O7  2  0.0000  0.0000  0.0000  1.0
  O  O8  2  0.0000  0.0000  0.5000  1.0
]