data_ZnS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   50.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnS
_chemical_formula_sum   'Zn16 S16'
_cell_volume   647.72
_cell_formula_units_Z   16
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
  Zn  Zn0  1  0.0  0.0  0.5  1.0
  Zn  Zn1  1  0.0  0.22  0.3  1.0
  Zn  Zn2  1  0.93  0.11  0.05  1.0
  Zn  Zn3  1  0.0  0.0  0.15  1.0
  Zn  Zn4  1  0.0  0.22  0.2  1.0
  Zn  Zn5  1  0.0  0.0  0.6  1.0
  Zn  Zn6  1  0.0  0.22  0.75  1.0
  Zn  Zn7  1  0.93  0.11  0.95  1.0
  Zn  Zn8  1  0.0  0.22  0.65  1.0
  Zn  Zn9  1  0.93  0.11  0.45  1.0
  Zn  Zn10  1  0.0  0.0  0.9  1.0
  Zn  Zn11  1  0.0  0.0  0.25  1.0
  Zn  Zn12  1  0.93  0.11  0.35  1.0
  Zn  Zn13  1  0.0  0.22  0.1  1.0
  Zn  Zn14  1  0.0  0.0  0.8  1.0
  Zn  Zn15  1  0.93  0.11  0.0  1.0
  S  S16  1  0.93  0.11  0.81  1.0
  S  S17  1  0.0  0.0  0.96  1.0
  S  S18  1  0.0  0.22  0.11  1.0
  S  S19  1  0.0  0.22  0.56  1.0
  S  S20  1  0.0  0.0  0.51  1.0
  S  S21  1  0.0  0.22  0.01  1.0
  S  S22  1  0.0  0.0  0.61  1.0
  S  S23  1  0.0  0.22  0.46  1.0
  S  S24  1  0.93  0.11  0.31  1.0
  S  S25  1  0.0  0.0  0.86  1.0
  S  S26  1  0.93  0.11  0.41  1.0
  S  S27  1  0.0  0.0  0.16  1.0
  S  S28  1  0.93  0.11  0.71  1.0
  S  S29  1  0.93  0.11  0.36  1.0
  S  S30  1  0.0  0.22  0.66  1.0
  S  S31  1  0.0  0.0  0.26  1.0

data_ZnS
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   50.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnS
_chemical_formula_sum   'Zn16 S16'
_cell_volume   647.72
_cell_formula_units_Z   16
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
  Zn  Zn0  1  0.0  0.0  0.15  1.0
  Zn  Zn1  1  0.0  0.0  0.25  1.0
  Zn  Zn2  1  0.0  0.0  0.5  1.0
  Zn  Zn3  1  0.0  0.0  0.6  1.0
  Zn  Zn4  1  0.0  0.0  0.8  1.0
  Zn  Zn5  1  0.0  0.0  0.9  1.0
  Zn  Zn6  1  0.0  0.22  0.1  1.0
  Zn  Zn7  1  0.0  0.22  0.2  1.0
  Zn  Zn8  1  0.0  0.22  0.3  1.0
  Zn  Zn9  1  0.0  0.22  0.65  1.0
  Zn  Zn10  1  0.0  0.22  0.75  1.0
  Zn  Zn11  1  0.93  0.11  -0.0  1.0
  Zn  Zn12  1  0.93  0.11  0.05  1.0
  Zn  Zn13  1  0.93  0.11  0.35  1.0
  Zn  Zn14  1  0.93  0.11  0.45  1.0
  Zn  Zn15  1  0.93  0.11  0.95  1.0
  S  S16  1  0.0  0.0  0.16  1.0
  S  S17  1  0.0  0.0  0.26  1.0
  S  S18  1  0.0  0.0  0.51  1.0
  S  S19  1  0.0  0.0  0.61  1.0
  S  S20  1  0.0  0.0  0.86  1.0
  S  S21  1  0.0  0.0  0.96  1.0
  S  S22  1  0.0  0.22  0.01  1.0
  S  S23  1  0.0  0.22  0.11  1.0
  S  S24  1  0.0  0.22  0.46  1.0
  S  S25  1  0.0  0.22  0.56  1.0
  S  S26  1  0.0  0.22  0.66  1.0
  S  S27  1  0.93  0.11  0.31  1.0
  S  S28  1  0.93  0.11  0.36  1.0
  S  S29  1  0.93  0.11  0.41  1.0
  S  S30  1  0.93  0.11  0.71  1.0
  S  S31  1  0.93  0.11  0.81  1.0

Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn S S S S S S S S S S S S S S S S