data_Ho2ZnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.52
_cell_length_b   7.85
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2ZnS4
_chemical_formula_sum   'Ho8 Zn4 S16'
_cell_volume   672.84
_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
  Ho  Ho0  1  0.0  0.93  0.0  1.0
  Ho  Ho1  1  0.76  0.0  0.17  1.0
  Ho  Ho2  1  0.0  0.0  0.0  1.0
  Ho  Ho3  1  0.76  0.93  0.17  1.0
  Ho  Ho4  1  0.36  0.89  0.18  1.0
  Ho  Ho5  1  0.61  0.89  0.34  1.0
  Ho  Ho6  1  0.15  0.96  0.16  1.0
  Ho  Ho7  1  0.91  0.96  0.01  1.0
  Zn  Zn8  1  0.05  0.89  0.81  1.0
  Zn  Zn9  1  0.29  0.89  0.71  1.0
  Zn  Zn10  1  0.47  0.96  0.53  1.0
  Zn  Zn11  1  0.23  0.96  0.64  1.0
  S  S12  1  0.04  0.02  0.73  1.0
  S  S13  1  0.28  0.75  0.78  1.0
  S  S14  1  0.48  0.1  0.61  1.0
  S  S15  1  0.24  0.83  0.56  1.0
  S  S16  1  0.48  0.83  0.61  1.0
  S  S17  1  0.24  0.1  0.56  1.0
  S  S18  1  0.04  0.75  0.73  1.0
  S  S19  1  0.28  0.02  0.78  1.0
  S  S20  1  1.0  0.89  0.76  1.0
  S  S21  1  0.24  0.89  0.41  1.0
  S  S22  1  0.52  0.96  0.58  1.0
  S  S23  1  0.28  0.96  0.93  1.0
  S  S24  1  0.85  0.89  0.81  1.0
  S  S25  1  0.61  0.89  0.7  1.0
  S  S26  1  0.67  0.96  0.53  1.0
  S  S27  1  0.91  0.96  0.64  1.0

data_Ho2ZnS4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.34
_cell_length_b   7.85
_cell_length_c   13.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2ZnS4
_chemical_formula_sum   'Ho8 Zn4 S16'
_cell_volume   672.84
_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
  Ho  Ho0  1  0.0  0.0  0.0  1.0
  Ho  Ho1  1  0.0  0.07  0.0  1.0
  Ho  Ho2  1  0.66  0.11  0.39  1.0
  Ho  Ho3  1  0.82  0.11  0.64  1.0
  Ho  Ho4  1  0.83  0.0  0.24  1.0
  Ho  Ho5  1  0.83  0.07  0.24  1.0
  Ho  Ho6  1  0.84  0.04  0.85  1.0
  Ho  Ho7  1  0.99  0.04  0.09  1.0
  Zn  Zn8  1  0.19  0.11  0.95  1.0
  Zn  Zn9  1  0.29  0.11  0.71  1.0
  Zn  Zn10  1  0.36  0.04  0.77  1.0
  Zn  Zn11  1  0.47  0.04  0.53  1.0
  S  S12  1  0.07  0.04  0.72  1.0
  S  S13  1  0.19  0.11  0.15  1.0
  S  S14  1  0.22  0.25  0.72  1.0
  S  S15  1  0.22  0.98  0.72  1.0
  S  S16  1  0.24  0.11  0.0  1.0
  S  S17  1  0.27  0.25  0.96  1.0
  S  S18  1  0.27  0.98  0.96  1.0
  S  S19  1  0.3  0.11  0.39  1.0
  S  S20  1  0.36  0.04  0.09  1.0
  S  S21  1  0.39  0.17  0.52  1.0
  S  S22  1  0.39  0.9  0.52  1.0
  S  S23  1  0.42  0.04  0.48  1.0
  S  S24  1  0.44  0.17  0.76  1.0
  S  S25  1  0.44  0.9  0.76  1.0
  S  S26  1  0.47  0.04  0.33  1.0
  S  S27  1  0.59  0.11  0.76  1.0

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