data_K3W2Cl9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45
_cell_length_b   7.45
_cell_length_c   16.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3W2Cl9
_chemical_formula_sum   'K6 W4 Cl18'
_cell_volume   785.51
_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  K18  1  0.0  0.0  0.25  1.0
  K  K19  1  0.0  0.0  0.08  1.0
  K  K20  1  0.73  0.15  0.16  1.0
  K  K21  1  0.0  0.3  0.33  1.0
  K  K22  1  0.0  0.3  0.18  1.0
  K  K23  1  0.73  0.15  0.01  1.0
  W  W24  1  0.73  0.15  0.44  1.0
  W  W25  1  0.0  0.3  0.27  1.0
  W  W26  1  0.0  0.3  0.9  1.0
  W  W27  1  0.73  0.15  0.07  1.0
  Cl  Cl0  1  0.07  0.66  0.25  1.0
  Cl  Cl1  1  0.52  0.41  0.25  1.0
  Cl  Cl2  1  0.41  0.83  0.25  1.0
  Cl  Cl3  1  0.66  0.79  0.08  1.0
  Cl  Cl4  1  0.2  0.04  0.08  1.0
  Cl  Cl5  1  0.31  0.62  0.08  1.0
  Cl  Cl6  1  0.16  0.13  0.76  1.0
  Cl  Cl7  1  0.8  0.53  0.76  1.0
  Cl  Cl8  1  0.22  0.79  0.76  1.0
  Cl  Cl9  1  0.57  0.32  0.59  1.0
  Cl  Cl10  1  0.93  0.92  0.59  1.0
  Cl  Cl11  1  0.5  0.66  0.59  1.0
  Cl  Cl12  1  0.57  0.32  0.58  1.0
  Cl  Cl13  1  0.93  0.92  0.58  1.0
  Cl  Cl14  1  0.5  0.66  0.58  1.0
  Cl  Cl15  1  0.16  0.13  0.75  1.0
  Cl  Cl16  1  0.8  0.53  0.75  1.0
  Cl  Cl17  1  0.22  0.79  0.75  1.0

data_K3W2Cl9
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.45
_cell_length_b   7.45
_cell_length_c   16.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3W2Cl9
_chemical_formula_sum   'K6 W4 Cl18'
_cell_volume   785.51
_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  1  0.0  0.0  0.08  1.0
  K  K1  1  0.0  0.0  0.25  1.0
  K  K2  1  0.0  0.3  0.18  1.0
  K  K3  1  0.0  0.3  0.33  1.0
  K  K4  1  0.73  0.15  0.01  1.0
  K  K5  1  0.73  0.15  0.16  1.0
  W  W6  1  0.0  0.3  0.27  1.0
  W  W7  1  0.0  0.3  0.9  1.0
  W  W8  1  0.73  0.15  0.07  1.0
  W  W9  1  0.73  0.15  0.44  1.0
  Cl  Cl10  1  0.07  0.66  0.25  1.0
  Cl  Cl11  1  0.16  0.13  0.75  1.0
  Cl  Cl12  1  0.16  0.13  0.76  1.0
  Cl  Cl13  1  0.2  0.04  0.08  1.0
  Cl  Cl14  1  0.22  0.79  0.75  1.0
  Cl  Cl15  1  0.22  0.79  0.76  1.0
  Cl  Cl16  1  0.31  0.62  0.08  1.0
  Cl  Cl17  1  0.41  0.83  0.25  1.0
  Cl  Cl18  1  0.5  0.66  0.58  1.0
  Cl  Cl19  1  0.5  0.66  0.59  1.0
  Cl  Cl20  1  0.52  0.41  0.25  1.0
  Cl  Cl21  1  0.57  0.32  0.58  1.0
  Cl  Cl22  1  0.57  0.32  0.59  1.0
  Cl  Cl23  1  0.66  0.79  0.08  1.0
  Cl  Cl24  1  0.8  0.53  0.75  1.0
  Cl  Cl25  1  0.8  0.53  0.76  1.0
  Cl  Cl26  1  0.93  0.92  0.58  1.0
  Cl  Cl27  1  0.93  0.92  0.59  1.0

K K K K K K W W W W Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl
K K K K K K W W W W Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl 0 4 o o o 0 7 o o o 0 3 o o o 0 10 o - o 0 1 o o o 0 11 o o o 0 11 - - o 1 14 o o o 1 13 - - o 2 9 o o o 2 4 + o o 2 11 o o o 3 7 o o o 3 6 - o o 3 10 o o o 3 11 o o o 3 11 - o o 4 7 o o o 4 10 o o o 4 11 o o o 4 11 - o o 5 9 o o o 5 8 + o - 6 22 o o o 6 19 o o o 6 7 + o o 6 11 o o o 7 10 o o o 7 11 o o o 7 11 - o o 8 9 - o + 8 25 o o o 8 16 o o o 9 11 o o o 9 13 o - o 10 12 o o o 10 11 - o o 11 14 o o o 11 15 o o o 11 13 o o o 11 12 o o o 11 12 o - o 13 15 o o o 16 25 o o o 17 26 o o o 18 27 o o o 19 22 o o o 20 23 o o o 21 24 o o o 