data_Rb3HoCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.69
_cell_length_b   13.69
_cell_length_c   12.98
_cell_angle_alpha   99.09
_cell_angle_beta   99.09
_cell_angle_gamma   34.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb3HoCl6
_chemical_formula_sum   'Rb12 Ho4 Cl24'
_cell_volume   1343.46
_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
  Rb  Rb0  1  0.39  0.02  0.94  1.0
  Rb  Rb1  1  0.65  0.98  0.86  1.0
  Rb  Rb2  1  0.58  0.02  0.26  1.0
  Rb  Rb3  1  0.46  0.98  0.54  1.0
  Rb  Rb4  1  0.73  0.49  0.25  1.0
  Rb  Rb5  1  0.31  0.51  0.55  1.0
  Rb  Rb6  1  0.23  0.49  0.95  1.0
  Rb  Rb7  1  0.81  0.51  0.85  1.0
  Rb  Rb8  1  0.35  0.51  0.97  1.0
  Rb  Rb9  1  0.69  0.49  0.83  1.0
  Rb  Rb10  1  0.61  0.51  0.23  1.0
  Rb  Rb11  1  0.43  0.49  0.57  1.0
  Ho  Ho12  1  0.48  0.27  0.6  1.0
  Ho  Ho13  1  0.56  0.73  0.2  1.0
  Ho  Ho14  1  0.55  0.0  0.0  1.0
  Ho  Ho15  1  0.47  1.0  0.4  1.0
  Cl  Cl16  1  0.65  0.59  0.76  1.0
  Cl  Cl17  1  0.39  0.41  0.04  1.0
  Cl  Cl18  1  0.32  0.59  0.44  1.0
  Cl  Cl19  1  0.72  0.41  0.36  1.0
  Cl  Cl20  1  0.8  0.44  0.5  1.0
  Cl  Cl21  1  0.24  0.56  0.3  1.0
  Cl  Cl22  1  0.17  0.44  0.7  1.0
  Cl  Cl23  1  0.87  0.56  0.1  1.0
  Cl  Cl24  1  0.48  0.67  0.35  1.0
  Cl  Cl25  1  0.56  0.33  0.45  1.0
  Cl  Cl26  1  0.49  0.67  0.85  1.0
  Cl  Cl27  1  0.55  0.33  0.95  1.0
  Cl  Cl28  1  0.99  0.78  0.9  1.0
  Cl  Cl29  1  0.05  0.22  0.9  1.0
  Cl  Cl30  1  0.12  0.78  0.5  1.0
  Cl  Cl31  1  0.92  0.22  0.3  1.0
  Cl  Cl32  1  0.36  0.21  0.24  1.0
  Cl  Cl33  1  0.68  0.79  0.56  1.0
  Cl  Cl34  1  0.61  0.21  0.96  1.0
  Cl  Cl35  1  0.43  0.79  0.84  1.0
  Cl  Cl36  1  0.81  0.88  0.43  1.0
  Cl  Cl37  1  0.23  0.12  0.37  1.0
  Cl  Cl38  1  0.16  0.88  0.77  1.0
  Cl  Cl39  1  0.88  0.12  0.03  1.0

data_Rb3HoCl6
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.02
_cell_length_b   12.98
_cell_length_c   13.69
_cell_angle_alpha   99.09
_cell_angle_beta   107.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb3HoCl6
_chemical_formula_sum   'Rb12 Ho4 Cl24'
_cell_volume   1343.46
_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
  Rb  Rb0  1  0.02  0.26  0.6  1.0
  Rb  Rb1  1  0.02  0.94  0.41  1.0
  Rb  Rb2  1  0.49  0.57  0.92  1.0
  Rb  Rb3  1  0.49  0.83  0.18  1.0
  Rb  Rb4  1  0.49  0.25  0.23  1.0
  Rb  Rb5  1  0.49  0.95  0.73  1.0
  Rb  Rb6  1  0.51  0.55  0.81  1.0
  Rb  Rb7  1  0.51  0.85  0.31  1.0
  Rb  Rb8  1  0.51  0.23  0.12  1.0
  Rb  Rb9  1  0.51  0.97  0.86  1.0
  Rb  Rb10  1  0.98  0.54  0.44  1.0
  Rb  Rb11  1  0.98  0.86  0.63  1.0
  Ho  Ho12  1  0.0  0.0  0.55  1.0
  Ho  Ho13  1  0.27  0.6  0.75  1.0
  Ho  Ho14  1  0.73  0.2  0.29  1.0
  Ho  Ho15  1  1.0  0.4  0.47  1.0
  Cl  Cl16  1  0.12  0.03  1.0  1.0
  Cl  Cl17  1  0.12  0.37  0.34  1.0
  Cl  Cl18  1  0.21  0.24  0.57  1.0
  Cl  Cl19  1  0.21  0.96  0.81  1.0
  Cl  Cl20  1  0.22  0.3  0.14  1.0
  Cl  Cl21  1  0.22  0.9  0.26  1.0
  Cl  Cl22  1  0.33  0.45  0.89  1.0
  Cl  Cl23  1  0.33  0.95  0.88  1.0
  Cl  Cl24  1  0.41  0.04  0.8  1.0
  Cl  Cl25  1  0.41  0.36  0.12  1.0
  Cl  Cl26  1  0.44  0.5  0.24  1.0
  Cl  Cl27  1  0.44  0.7  0.61  1.0
  Cl  Cl28  1  0.56  0.1  0.43  1.0
  Cl  Cl29  1  0.56  0.3  0.8  1.0
  Cl  Cl30  1  0.59  0.44  0.92  1.0
  Cl  Cl31  1  0.59  0.76  0.24  1.0
  Cl  Cl32  1  0.67  0.35  0.15  1.0
  Cl  Cl33  1  0.67  0.85  0.16  1.0
  Cl  Cl34  1  0.78  0.5  0.9  1.0
  Cl  Cl35  1  0.78  0.9  0.78  1.0
  Cl  Cl36  1  0.79  0.56  0.47  1.0
  Cl  Cl37  1  0.79  0.84  0.23  1.0
  Cl  Cl38  1  0.88  0.43  0.7  1.0
  Cl  Cl39  1  0.88  0.77  0.04  1.0

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