data_[K2Tl2Cr4O16]
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
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.3279]
_cell_length_b [4.8077]
_cell_length_c [8.4174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7210]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KTlCr2O8]
_chemical_formula_sum '[K2 Tl2 Cr4 O16]'
_cell_volume [336.9897]
_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  0.0000  0.0782  0.0000  1
  Tl  Tl1  2  0.0000  0.9875  0.5000  1
  Cr  Cr2  4  0.1942  0.4957  0.7357  1
  O  O3  4  0.0363  0.2869  0.6970  1
  O  O4  4  0.1362  0.8167  0.2689  1
  O  O5  4  0.1731  0.6227  0.9124  1
  O  O6  4  0.2053  0.7452  0.5953  1
]