data_[Zn15S15]
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 [R3m]
_cell_length_a [3.8528]
_cell_length_b [3.8528]
_cell_length_c [47.2625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [ZnS]
_chemical_formula_sum '[Zn15 S15]'
_cell_volume [607.5900]
_cell_formula_units_Z [15]
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  3  0.0000  0.0000  0.0000  1.0
  Zn  Zn1  3  0.0000  0.0000  0.2667  1.0
  Zn  Zn2  3  0.0000  0.0000  0.4667  1.0
  Zn  Zn3  3  0.0000  0.0000  0.7333  1.0
  Zn  Zn4  3  0.0000  0.0000  0.8667  1.0
  S  S5  3  0.0000  0.0000  0.0500  1.0
  S  S6  3  0.0000  0.0000  0.3167  1.0
  S  S7  3  0.0000  0.0000  0.5167  1.0
  S  S8  3  0.0000  0.0000  0.7833  1.0
  S  S9  3  0.0000  0.0000  0.9166  1.0
]