data_[Zn14S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.8346]
_cell_length_b [3.8346]
_cell_length_c [43.9149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [ZnS]
_chemical_formula_sum '[Zn14 S14]'
_cell_volume [559.2101]
_cell_formula_units_Z [14]
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  2  0.0000  0.0000  0.1429  1
  Zn  Zn1  2  0.0000  0.0000  0.3572  1
  Zn  Zn2  2  0.3333  0.6667  0.0000  1
  Zn  Zn3  2  0.3333  0.6667  0.2143  1
  Zn  Zn4  2  0.3333  0.6667  0.4286  1
  Zn  Zn5  2  0.3333  0.6667  0.5714  1
  Zn  Zn6  2  0.3333  0.6667  0.7857  1
  S  S7  2  0.0000  0.0000  0.1964  1
  S  S8  2  0.0000  0.0000  0.4107  1
  S  S9  2  0.3333  0.6667  0.0536  1
  S  S10  2  0.3333  0.6667  0.2678  1
  S  S11  2  0.3333  0.6667  0.4821  1
  S  S12  2  0.3333  0.6667  0.6250  1
  S  S13  2  0.3333  0.6667  0.8393  1
]