data_K3HoCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.26
_cell_length_b   7.83
_cell_length_c   12.71
_cell_angle_alpha   90.0
_cell_angle_beta   108.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3HoCl6
_chemical_formula_sum   'K12 Ho4 Cl24'
_cell_volume   1249.22
_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  1  0.09  0.43  0.85  1.0
  K  K1  1  0.09  0.39  0.18  1.0
  K  K2  1  0.05  0.52  0.2  1.0
  K  K3  1  0.13  0.31  0.84  1.0
  K  K4  1  0.34  0.25  0.7  1.0
  K  K5  1  0.84  0.58  0.34  1.0
  K  K6  1  0.8  0.16  0.36  1.0
  K  K7  1  0.38  0.67  0.68  1.0
  K  K8  1  0.39  0.51  0.67  1.0
  K  K9  1  0.79  0.32  0.36  1.0
  K  K10  1  0.75  0.42  0.38  1.0
  K  K11  1  0.43  0.4  0.66  1.0
  Ho  Ho12  1  0.59  0.0  0.02  1.0
  Ho  Ho13  1  0.63  0.91  0.0  1.0
  Ho  Ho14  1  0.0  0.0  0.0  1.0
  Ho  Ho15  1  0.96  0.91  0.02  1.0
  Cl  Cl16  1  0.12  0.93  0.56  1.0
  Cl  Cl17  1  0.07  0.9  0.47  1.0
  Cl  Cl18  1  0.03  0.02  0.49  1.0
  Cl  Cl19  1  0.15  0.81  0.55  1.0
  Cl  Cl20  1  0.62  0.54  0.97  1.0
  Cl  Cl21  1  0.56  0.29  0.06  1.0
  Cl  Cl22  1  0.53  0.63  0.08  1.0
  Cl  Cl23  1  0.66  0.2  0.95  1.0
  Cl  Cl24  1  0.17  0.68  0.31  1.0
  Cl  Cl25  1  0.02  0.15  0.72  1.0
  Cl  Cl26  1  0.98  0.6  0.74  1.0
  Cl  Cl27  1  0.21  0.23  0.3  1.0
  Cl  Cl28  1  0.33  0.8  0.74  1.0
  Cl  Cl29  1  0.85  0.02  0.29  1.0
  Cl  Cl30  1  0.82  0.72  0.31  1.0
  Cl  Cl31  1  0.37  0.11  0.72  1.0
  Cl  Cl32  1  0.98  0.4  0.19  1.0
  Cl  Cl33  1  0.2  0.43  0.84  1.0
  Cl  Cl34  1  0.16  0.48  0.86  1.0
  Cl  Cl35  1  0.02  0.34  0.18  1.0
  Cl  Cl36  1  0.24  0.21  0.87  1.0
  Cl  Cl37  1  0.94  0.62  0.17  1.0
  Cl  Cl38  1  0.9  0.12  0.19  1.0
  Cl  Cl39  1  0.28  0.71  0.85  1.0

data_K3HoCl6
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.83
_cell_length_b   12.71
_cell_length_c   13.26
_cell_angle_alpha   108.71
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3HoCl6
_chemical_formula_sum   'K12 Ho4 Cl24'
_cell_volume   1249.22
_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  1  0.16  0.36  0.8  1.0
  K  K1  1  0.25  0.7  0.34  1.0
  K  K2  1  0.31  0.84  0.13  1.0
  K  K3  1  0.32  0.36  0.79  1.0
  K  K4  1  0.39  0.18  0.09  1.0
  K  K5  1  0.4  0.66  0.43  1.0
  K  K6  1  0.42  0.38  0.75  1.0
  K  K7  1  0.43  0.85  0.09  1.0
  K  K8  1  0.51  0.67  0.39  1.0
  K  K9  1  0.52  0.2  0.05  1.0
  K  K10  1  0.58  0.34  0.84  1.0
  K  K11  1  0.67  0.68  0.38  1.0
  Ho  Ho12  1  0.0  0.0  0.0  1.0
  Ho  Ho13  1  0.0  0.02  0.59  1.0
  Ho  Ho14  1  0.91  -0.0  0.63  1.0
  Ho  Ho15  1  0.91  0.02  0.96  1.0
  Cl  Cl16  1  0.02  0.49  0.03  1.0
  Cl  Cl17  1  0.02  0.29  0.85  1.0
  Cl  Cl18  1  0.11  0.72  0.37  1.0
  Cl  Cl19  1  0.12  0.19  0.9  1.0
  Cl  Cl20  1  0.15  0.72  0.02  1.0
  Cl  Cl21  1  0.2  0.95  0.66  1.0
  Cl  Cl22  1  0.21  0.87  0.24  1.0
  Cl  Cl23  1  0.23  0.3  0.21  1.0
  Cl  Cl24  1  0.29  0.06  0.56  1.0
  Cl  Cl25  1  0.34  0.18  0.02  1.0
  Cl  Cl26  1  0.4  0.19  0.98  1.0
  Cl  Cl27  1  0.43  0.84  0.2  1.0
  Cl  Cl28  1  0.48  0.86  0.16  1.0
  Cl  Cl29  1  0.54  0.97  0.62  1.0
  Cl  Cl30  1  0.6  0.74  0.98  1.0
  Cl  Cl31  1  0.62  0.17  0.94  1.0
  Cl  Cl32  1  0.63  0.08  0.53  1.0
  Cl  Cl33  1  0.68  0.31  0.17  1.0
  Cl  Cl34  1  0.71  0.85  0.28  1.0
  Cl  Cl35  1  0.72  0.31  0.82  1.0
  Cl  Cl36  1  0.8  0.74  0.33  1.0
  Cl  Cl37  1  0.81  0.55  0.15  1.0
  Cl  Cl38  1  0.9  0.47  0.07  1.0
  Cl  Cl39  1  0.93  0.56  0.12  1.0

K K K K K K K K K K K K Ho Ho Ho Ho Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl
K K K K K K K K K K K K Ho Ho Ho Ho Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl 0 3 o o o 0 34 o o o 0 26 - o o 1 35 o o o 1 2 o o o 1 27 o o o 2 35 o o o 2 32 - o o 2 24 o o o 2 37 - o o 3 33 o o o 3 34 o o o 3 25 o o o 3 36 o o o 4 31 o o o 5 30 o o o 6 9 o o o 6 29 o o o 7 8 o o o 7 28 o o o 8 11 o o o 9 10 o o o 12 13 o - o 12 21 o o o 12 23 o o - 13 23 o + - 14 15 - - o 16 17 o o o 16 19 o o o 17 18 o + o 20 21 o o + 20 22 o o + 20 23 o o o 21 22 o o o 21 23 o o - 26 34 + o o 27 35 o o o 28 39 o o o 29 38 o o o 32 35 + o o 32 37 o o o 33 34 o o o 33 36 o o o 