data_global
_amcsd_formula_title 'Cl6 H4 K3 O2 Tl'
loop_
_publ_author_name
'Hoard J'
'Goldstein L'
_journal_name_full 'Journal of Chemical Physics'
_journal_volume 3 
_journal_year 1935
_journal_page_first 645
_journal_page_last 649
_publ_section_title
;
 The Structure of Potassium Hexachlorothalliate Dihydrate
 _cod_database_code 1010517
;
_database_code_amcsd 0017428
_chemical_formula_sum 'Tl7 Cl42 K21 O14'
_cell_length_a 15.841
_cell_length_b 15.841
_cell_length_c 18.005
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 4518.125
_exptl_crystal_density_diffrn      2.914
_symmetry_space_group_name_H-M 'I 4/m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-y,-x,z'
  '1/2-y,1/2-x,1/2+z'
  'y,x,-z'
  '1/2+y,1/2+x,1/2-z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  'y,x,z'
  '1/2+y,1/2+x,1/2+z'
  '-y,-x,-z'
  '1/2-y,1/2-x,1/2-z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,1/2+z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Tl1   0.00000   0.00000   0.00000
Tl2   0.00000   0.50000   0.00000
Tl3   0.25000   0.25000   0.25000
Cl1   0.00000   0.00000   0.14200
Cl2   0.16100   0.00000   0.00000
Cl3   0.00000   0.50000   0.14200
Cl4   0.38600   0.11400   0.00000
Cl5   0.18100  -0.18100   0.36200
Cl6   0.16000  -0.16000   0.16300
Cl7   0.36400   0.86400   0.25000
K1   0.00000   0.00000   0.50000
K2   0.21400   0.21400   0.00000
K3   0.00000   0.29500   0.13200
K4   0.00000   0.29300   0.37600
O1   0.00000   0.00000   0.34700
O2   0.17300   0.00000   0.50000
O3   0.00000   0.15700   0.27600