data_[K6Tl6Cu2O16]
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
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9037]
_cell_length_b [6.6789]
_cell_length_c [7.4023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.4137]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Tl3CuO8]
_chemical_formula_sum '[K6 Tl6 Cu2 O16]'
_cell_volume [496.8239]
_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  4  0.2500  0.2500  0.0000  1.0
  K  K1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.2500  0.2500  0.5000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu4  2  0.0000  0.0000  0.5000  1.0
  O  O5  8  0.0126  0.2091  0.3309  1.0
  O  O6  4  0.2305  0.5000  0.6958  1.0
  O  O7  4  0.2309  0.0000  0.6922  1.0
]