data_[Zn8S8]
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 [P3m1]
_cell_length_a [3.8522]
_cell_length_b [3.8522]
_cell_length_c [25.2172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [ZnS]
_chemical_formula_sum '[Zn8 S8]'
_cell_volume [324.0752]
_cell_formula_units_Z [8]
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  0.0000  0.0000  0.2500  1.0
  Zn  Zn1  1  0.0000  0.0000  0.5000  1.0
  Zn  Zn2  1  0.0000  0.0000  0.9999  1.0
  Zn  Zn3  1  0.3333  0.6667  0.6249  1.0
  Zn  Zn4  1  0.3333  0.6667  0.8750  1.0
  Zn  Zn5  1  0.6667  0.3333  0.1250  1.0
  Zn  Zn6  1  0.6667  0.3333  0.3750  1.0
  Zn  Zn7  1  0.6667  0.3333  0.7500  1.0
  S  S8  1  0.0000  0.0000  0.1562  1.0
  S  S9  1  0.0000  0.0000  0.4063  1.0
  S  S10  1  0.0000  0.0000  0.9062  1.0
  S  S11  1  0.3333  0.6667  0.5312  1.0
  S  S12  1  0.3333  0.6667  0.7813  1.0
  S  S13  1  0.6667  0.3333  0.0312  1.0
  S  S14  1  0.6667  0.3333  0.2812  1.0
  S  S15  1  0.6667  0.3333  0.6562  1.0
]