data_Y2ZnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.6
_cell_length_b   7.92
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZnS4
_chemical_formula_sum   'Y8 Zn4 S16'
_cell_volume   683.21
_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
  Y  Y0  1  0.0  0.96  0.0  1.0
  Y  Y1  1  0.8  0.0  0.17  1.0
  Y  Y2  1  0.0  0.0  0.0  1.0
  Y  Y3  1  0.8  0.96  0.17  1.0
  Y  Y4  1  0.98  0.94  0.02  1.0
  Y  Y5  1  0.18  0.94  0.16  1.0
  Y  Y6  1  0.61  0.98  0.33  1.0
  Y  Y7  1  0.41  0.98  0.19  1.0
  Zn  Zn8  1  0.34  0.94  0.74  1.0
  Zn  Zn9  1  0.54  0.94  0.78  1.0
  Zn  Zn10  1  0.26  0.98  0.61  1.0
  Zn  Zn11  1  0.06  0.98  0.56  1.0
  S  S12  1  0.36  0.94  0.43  1.0
  S  S13  1  0.56  0.94  0.74  1.0
  S  S14  1  0.24  0.98  0.91  1.0
  S  S15  1  0.04  0.98  0.6  1.0
  S  S16  1  0.73  0.94  0.8  1.0
  S  S17  1  0.93  0.94  0.71  1.0
  S  S18  1  0.86  0.98  0.54  1.0
  S  S19  1  0.66  0.98  0.63  1.0
  S  S20  1  0.32  0.07  0.79  1.0
  S  S21  1  0.52  0.81  0.73  1.0
  S  S22  1  0.28  0.11  0.55  1.0
  S  S23  1  0.08  0.85  0.62  1.0
  S  S24  1  0.28  0.85  0.55  1.0
  S  S25  1  0.08  0.11  0.62  1.0
  S  S26  1  0.32  0.81  0.79  1.0
  S  S27  1  0.52  0.07  0.73  1.0

data_Y2ZnS4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.35
_cell_length_b   7.92
_cell_length_c   13.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZnS4
_chemical_formula_sum   'Y8 Zn4 S16'
_cell_volume   683.21
_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
  Y  Y0  1  -0.0  0.04  0.0  1.0
  Y  Y1  1  0.0  0.0  0.0  1.0
  Y  Y2  1  0.67  0.02  0.39  1.0
  Y  Y3  1  0.81  0.02  0.59  1.0
  Y  Y4  1  0.83  0.0  0.2  1.0
  Y  Y5  1  0.83  0.04  0.2  1.0
  Y  Y6  1  0.84  0.06  0.82  1.0
  Y  Y7  1  0.98  0.06  0.02  1.0
  Zn  Zn8  1  0.22  0.06  0.46  1.0
  Zn  Zn9  1  0.26  0.06  0.66  1.0
  Zn  Zn10  1  0.39  0.02  0.74  1.0
  Zn  Zn11  1  0.44  0.02  0.94  1.0
  S  S12  1  0.09  0.02  0.76  1.0
  S  S13  1  0.2  0.06  0.27  1.0
  S  S14  1  0.21  0.19  0.68  1.0
  S  S15  1  0.21  0.93  0.68  1.0
  S  S16  1  0.26  0.06  0.44  1.0
  S  S17  1  0.27  0.19  0.48  1.0
  S  S18  1  0.27  0.93  0.48  1.0
  S  S19  1  0.29  0.06  0.07  1.0
  S  S20  1  0.37  0.02  0.34  1.0
  S  S21  1  0.38  0.15  0.92  1.0
  S  S22  1  0.38  0.89  0.92  1.0
  S  S23  1  0.4  0.02  0.96  1.0
  S  S24  1  0.45  0.15  0.72  1.0
  S  S25  1  0.45  0.89  0.72  1.0
  S  S26  1  0.46  0.02  0.14  1.0
  S  S27  1  0.57  0.06  0.64  1.0

Y Y Y Y Y Y Y Y Zn Zn Zn Zn S S S S S S S S S S S S S S S S