data_Ho12Si5S28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.77
_cell_length_b   11.31
_cell_length_c   11.31
_cell_angle_alpha   60.73
_cell_angle_beta   64.42
_cell_angle_gamma   64.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho12Si5S28
_chemical_formula_sum   'Ho12 Si5 S28'
_cell_volume   943.42
_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  0.2  0.84  0.53  1.0
  Ho  Ho1  1  0.35  0.59  0.9  1.0
  Ho  Ho2  1  0.65  0.43  0.63  1.0
  Ho  Ho3  1  0.77  0.31  0.15  1.0
  Ho  Ho4  1  0.3  0.84  0.23  1.0
  Ho  Ho5  1  0.21  0.66  0.71  1.0
  Ho  Ho6  1  0.32  0.44  0.81  1.0
  Ho  Ho7  1  0.19  0.18  0.59  1.0
  Ho  Ho8  1  0.74  0.54  0.99  1.0
  Ho  Ho9  1  0.9  0.77  0.07  1.0
  Ho  Ho10  1  0.36  0.16  0.4  1.0
  Ho  Ho11  1  0.21  0.38  0.49  1.0
  Si  Si12  1  0.75  0.21  0.32  1.0
  Si  Si13  1  0.67  0.23  0.08  1.0
  Si  Si14  1  0.77  0.28  0.88  1.0
  Si  Si15  1  0.88  0.26  0.15  1.0
  Si  Si16  1  0.65  0.55  0.87  1.0
  S  S17  1  0.07  0.35  0.13  1.0
  S  S18  1  0.91  0.35  0.88  1.0
  S  S19  1  0.24  0.67  0.32  1.0
  S  S20  1  0.26  0.78  0.14  1.0
  S  S21  1  0.95  0.06  0.6  1.0
  S  S22  1  0.81  0.21  0.42  1.0
  S  S23  1  0.48  0.18  0.5  1.0
  S  S24  1  0.5  0.38  0.77  1.0
  S  S25  1  0.21  0.79  0.26  1.0
  S  S26  1  0.22  1.0  0.55  1.0
  S  S27  1  0.6  0.39  1.0  1.0
  S  S28  1  0.59  0.61  0.28  1.0
  S  S29  1  0.77  0.39  0.58  1.0
  S  S30  1  0.77  0.21  0.33  1.0
  S  S31  1  0.89  0.53  0.46  1.0
  S  S32  1  0.77  0.37  0.08  1.0
  S  S33  1  0.76  0.88  0.23  1.0
  S  S34  1  0.62  0.23  0.44  1.0
  S  S35  1  0.47  0.31  0.52  1.0
  S  S36  1  0.63  0.64  0.73  1.0
  S  S37  1  0.06  0.53  0.23  1.0
  S  S38  1  0.18  0.61  0.69  1.0
  S  S39  1  0.93  0.21  0.93  1.0
  S  S40  1  0.68  0.22  0.48  1.0
  S  S41  1  0.92  0.78  0.63  1.0
  S  S42  1  0.09  0.87  0.24  1.0
  S  S43  1  0.41  0.46  0.99  1.0
  S  S44  1  0.35  0.71  0.63  1.0

data_Ho12Si5S28
_symmetry_space_group_name_H-M   P1
_cell_length_a   9.77
_cell_length_b   11.31
_cell_length_c   11.31
_cell_angle_alpha   60.73
_cell_angle_beta   64.42
_cell_angle_gamma   64.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho12Si5S28
_chemical_formula_sum   'Ho12 Si5 S28'
_cell_volume   943.42
_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  0.19  0.18  0.59  1.0
  Ho  Ho1  1  0.2  0.84  0.53  1.0
  Ho  Ho2  1  0.21  0.66  0.71  1.0
  Ho  Ho3  1  0.21  0.38  0.49  1.0
  Ho  Ho4  1  0.3  0.84  0.23  1.0
  Ho  Ho5  1  0.32  0.44  0.81  1.0
  Ho  Ho6  1  0.35  0.59  0.9  1.0
  Ho  Ho7  1  0.36  0.16  0.4  1.0
  Ho  Ho8  1  0.65  0.43  0.63  1.0
  Ho  Ho9  1  0.74  0.54  0.99  1.0
  Ho  Ho10  1  0.77  0.31  0.15  1.0
  Ho  Ho11  1  0.9  0.77  0.07  1.0
  Si  Si12  1  0.65  0.55  0.87  1.0
  Si  Si13  1  0.67  0.23  0.08  1.0
  Si  Si14  1  0.75  0.21  0.32  1.0
  Si  Si15  1  0.77  0.28  0.88  1.0
  Si  Si16  1  0.88  0.26  0.15  1.0
  S  S17  1  0.06  0.53  0.23  1.0
  S  S18  1  0.07  0.35  0.13  1.0
  S  S19  1  0.09  0.87  0.24  1.0
  S  S20  1  0.18  0.61  0.69  1.0
  S  S21  1  0.21  0.79  0.26  1.0
  S  S22  1  0.22  1.0  0.55  1.0
  S  S23  1  0.24  0.67  0.32  1.0
  S  S24  1  0.26  0.78  0.14  1.0
  S  S25  1  0.35  0.71  0.63  1.0
  S  S26  1  0.41  0.46  0.99  1.0
  S  S27  1  0.47  0.31  0.52  1.0
  S  S28  1  0.48  0.18  0.5  1.0
  S  S29  1  0.5  0.38  0.77  1.0
  S  S30  1  0.59  0.61  0.28  1.0
  S  S31  1  0.6  0.39  1.0  1.0
  S  S32  1  0.62  0.23  0.44  1.0
  S  S33  1  0.63  0.64  0.73  1.0
  S  S34  1  0.68  0.22  0.48  1.0
  S  S35  1  0.76  0.88  0.23  1.0
  S  S36  1  0.77  0.37  0.08  1.0
  S  S37  1  0.77  0.39  0.58  1.0
  S  S38  1  0.77  0.21  0.33  1.0
  S  S39  1  0.81  0.21  0.42  1.0
  S  S40  1  0.89  0.53  0.46  1.0
  S  S41  1  0.91  0.35  0.88  1.0
  S  S42  1  0.92  0.78  0.63  1.0
  S  S43  1  0.93  0.21  0.93  1.0
  S  S44  1  0.95  0.06  0.6  1.0

Ho Ho Ho Ho Ho Ho Ho Ho Ho Ho Ho Ho Si Si Si Si Si S S S S S S S S S S S S S S S S S S S S S S S S S S S S