data_Ho14(PbS8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27
_cell_length_b   7.27
_cell_length_c   18.85
_cell_angle_alpha   104.98
_cell_angle_beta   104.98
_cell_angle_gamma   70.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho14(PbS8)3
_chemical_formula_sum   'Ho14 Pb3 S24'
_cell_volume   888.99
_cell_formula_units_Z   1
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
  Ho  Ho0  1  0.7  0.91  0.4  1.0
  Ho  Ho1  1  0.4  0.02  0.24  1.0
  Ho  Ho2  1  0.78  0.02  0.11  1.0
  Ho  Ho3  1  0.17  0.02  0.78  1.0
  Ho  Ho4  1  0.28  0.01  0.07  1.0
  Ho  Ho5  1  0.76  0.09  0.2  1.0
  Ho  Ho6  1  0.56  0.02  0.65  1.0
  Ho  Ho7  1  0.26  0.91  0.48  1.0
  Ho  Ho8  1  0.0  0.05  0.01  1.0
  Ho  Ho9  1  0.27  0.98  0.28  1.0
  Ho  Ho10  1  0.69  0.98  0.6  1.0
  Ho  Ho11  1  0.19  0.09  0.68  1.0
  Ho  Ho12  1  0.96  0.05  0.87  1.0
  Ho  Ho13  1  0.67  0.01  0.81  1.0
  Pb  Pb14  1  0.03  0.95  0.85  1.0
  Pb  Pb15  1  0.93  0.95  0.03  1.0
  Pb  Pb16  1  0.95  0.84  0.0  1.0
  S  S17  1  0.27  0.49  0.41  1.0
  S  S18  1  0.53  0.6  0.41  1.0
  S  S19  1  0.51  0.59  0.59  1.0
  S  S20  1  0.59  0.5  0.4  1.0
  S  S21  1  0.49  0.4  0.51  1.0
  S  S22  1  0.45  0.59  0.29  1.0
  S  S23  1  0.6  0.39  0.45  1.0
  S  S24  1  0.57  0.56  0.39  1.0
  S  S25  1  0.47  0.4  0.37  1.0
  S  S26  1  0.43  0.6  0.48  1.0
  S  S27  1  0.69  0.49  0.48  1.0
  S  S28  1  0.61  0.55  0.12  1.0
  S  S29  1  0.36  0.39  0.44  1.0
  S  S30  1  0.36  0.5  0.49  1.0
  S  S31  1  0.35  0.55  0.76  1.0
  S  S32  1  0.56  0.46  0.53  1.0
  S  S33  1  0.55  0.49  0.27  1.0
  S  S34  1  0.4  0.49  0.62  1.0
  S  S35  1  0.3  0.5  0.29  1.0
  S  S36  1  0.58  0.49  0.28  1.0
  S  S37  1  0.39  0.46  0.35  1.0
  S  S38  1  0.38  0.49  0.6  1.0
  S  S39  1  0.66  0.5  0.6  1.0
  S  S40  1  0.39  0.56  0.49  1.0

data_Ho14(PbS8)3
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.27
_cell_length_b   7.27
_cell_length_c   18.36
_cell_angle_alpha   97.49
_cell_angle_beta   97.52
_cell_angle_gamma   109.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho14(PbS8)3
_chemical_formula_sum   'Ho14 Pb3 S24'
_cell_volume   888.99
_cell_formula_units_Z   1
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
  Ho  Ho0  1  0.08  0.95  0.13  1.0
  Ho  Ho1  1  0.08  0.02  0.4  1.0
  Ho  Ho2  1  0.16  0.98  0.76  1.0
  Ho  Ho3  1  0.21  0.99  0.93  1.0
  Ho  Ho4  1  0.3  0.09  0.6  1.0
  Ho  Ho5  1  0.4  0.98  0.22  1.0
  Ho  Ho6  1  0.51  0.91  0.32  1.0
  Ho  Ho7  1  0.56  0.91  0.8  1.0
  Ho  Ho8  1  0.68  0.98  0.89  1.0
  Ho  Ho9  1  0.77  0.09  0.52  1.0
  Ho  Ho10  1  0.87  0.99  0.19  1.0
  Ho  Ho11  1  0.92  0.98  0.35  1.0
  Ho  Ho12  1  0.99  0.02  0.72  1.0
  Ho  Ho13  1  0.99  0.95  0.99  1.0
  Pb  Pb14  1  0.18  0.05  0.15  1.0
  Pb  Pb15  1  0.9  0.05  0.97  1.0
  Pb  Pb16  1  0.95  0.16  0.0  1.0
  S  S17  1  0.01  0.5  0.71  1.0
  S  S18  1  0.03  0.54  0.47  1.0
  S  S19  1  0.05  0.54  0.65  1.0
  S  S20  1  0.06  0.5  0.4  1.0
  S  S21  1  0.09  0.6  0.63  1.0
  S  S22  1  0.13  0.4  0.59  1.0
  S  S23  1  0.15  0.61  0.55  1.0
  S  S24  1  0.15  0.41  0.71  1.0
  S  S25  1  0.18  0.44  0.61  1.0
  S  S26  1  0.2  0.5  0.6  1.0
  S  S27  1  0.21  0.51  0.52  1.0
  S  S28  1  0.29  0.51  0.73  1.0
  S  S29  1  0.3  0.51  0.72  1.0
  S  S30  1  0.49  0.45  0.88  1.0
  S  S31  1  0.59  0.45  0.24  1.0
  S  S32  1  0.78  0.51  0.4  1.0
  S  S33  1  0.79  0.51  0.38  1.0
  S  S34  1  0.86  0.51  0.59  1.0
  S  S35  1  0.88  0.5  0.51  1.0
  S  S36  1  0.9  0.44  0.51  1.0
  S  S37  1  0.92  0.41  0.41  1.0
  S  S38  1  0.92  0.61  0.56  1.0
  S  S39  1  0.95  0.4  0.52  1.0
  S  S40  1  0.98  0.6  0.49  1.0

Ho Ho Ho Ho Ho Ho Ho Ho Ho Ho Ho Ho Ho Ho Pb Pb Pb S S S S S S S S S S S S S S S S S S S S S S S S
Ho Ho Ho Ho Ho Ho Ho Ho Ho Ho Ho Ho Ho Ho Pb Pb Pb S S S S S S S S S S S S S S S S S S S S S S S S 0 36 o o o 0 33 o o o 0 22 o o o 0 27 o o o 0 24 o o o 0 20 o o o 0 18 o o o 0 25 o + o 0 1 o + o 0 9 o o o 0 29 o + o 0 21 o + o 0 7 + o o 0 23 o + o 0 10 o o o 1 9 o - o 1 28 o - o 2 5 o o o 2 15 o - o 2 28 o o o 3 14 o - o 3 11 o o o 3 31 o - o 4 8 o o o 4 28 o - o 5 28 o o o 6 10 o - o 7 40 o o o 7 26 o o o 8 15 - - o 12 14 + - o 12 13 o o o 13 14 + - o 14 31 o o o 15 16 o o o 17 29 o o o 18 24 o o o 19 39 o o o 20 24 o o o 21 32 o o o 22 36 o o o 22 33 o o o 22 28 o o o 22 35 o o o 23 27 o o o 25 37 o o o 26 40 o o o 28 36 o o o 28 33 o o o 29 30 o o o 30 40 o o o 31 38 o o o 31 34 o o o 32 39 o o o 33 36 o o o 34 38 o o o 35 37 o o o 