data_ZnS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   18.9
_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   'Zn6 S6'
_cell_volume   243.04
_cell_formula_units_Z   6
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  0.93  0.11  0.3  1.0
  Zn  Zn1  1  0.0  0.22  0.75  1.0
  Zn  Zn2  1  0.0  0.22  0.15  1.0
  Zn  Zn3  1  0.93  0.11  0.6  1.0
  Zn  Zn4  1  0.0  0.0  0.0  1.0
  Zn  Zn5  1  0.0  0.0  0.45  1.0
  S  S6  1  0.93  0.11  0.66  1.0
  S  S7  1  0.0  0.22  0.11  1.0
  S  S8  1  0.0  0.22  0.51  1.0
  S  S9  1  0.93  0.11  0.97  1.0
  S  S10  1  0.0  0.0  0.37  1.0
  S  S11  1  0.0  0.0  0.82  1.0

data_ZnS
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   18.9
_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   'Zn6 S6'
_cell_volume   243.04
_cell_formula_units_Z   6
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  0.22  0.15  1.0
  Zn  Zn1  1  -0.0  0.22  0.75  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.45  1.0
  Zn  Zn4  1  0.93  0.11  0.3  1.0
  Zn  Zn5  1  0.93  0.11  0.6  1.0
  S  S6  1  -0.0  0.22  0.11  1.0
  S  S7  1  -0.0  0.22  0.51  1.0
  S  S8  1  0.0  0.0  0.37  1.0
  S  S9  1  0.0  0.0  0.82  1.0
  S  S10  1  0.93  0.11  0.66  1.0
  S  S11  1  0.93  0.11  0.97  1.0

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