data_[Zn24S24]
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 [3.8550]
_cell_length_b [3.8550]
_cell_length_c [75.4653]
_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 '[Zn24 S24]'
_cell_volume [971.2277]
_cell_formula_units_Z [24]
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  0.1250  1.0
  Zn  Zn2  3  0.0000  0.0000  0.2917  1.0
  Zn  Zn3  3  0.0000  0.0000  0.3750  1.0
  Zn  Zn4  3  0.0000  0.0000  0.5000  1.0
  Zn  Zn5  3  0.0000  0.0000  0.5834  1.0
  Zn  Zn6  3  0.0000  0.0000  0.7500  1.0
  Zn  Zn7  3  0.0000  0.0000  0.8750  1.0
  S  S8  3  0.0000  0.0000  0.0313  1.0
  S  S9  3  0.0000  0.0000  0.1562  1.0
  S  S10  3  0.0000  0.0000  0.3229  1.0
  S  S11  3  0.0000  0.0000  0.4062  1.0
  S  S12  3  0.0000  0.0000  0.5312  1.0
  S  S13  3  0.0000  0.0000  0.6146  1.0
  S  S14  3  0.0000  0.0000  0.7812  1.0
  S  S15  3  0.0000  0.0000  0.9063  1.0
]