data_[Zn10S10]
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 [3.8531]
_cell_length_b [3.8531]
_cell_length_c [31.5126]
_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 '[Zn10 S10]'
_cell_volume [405.1653]
_cell_formula_units_Z [10]
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  0.4000  1.0
  Zn  Zn1  1  0.0000  0.0000  0.7000  1.0
  Zn  Zn2  1  0.0000  0.0000  1.0000  1.0
  Zn  Zn3  1  0.3333  0.6667  0.1000  1.0
  Zn  Zn4  1  0.3333  0.6667  0.3000  1.0
  Zn  Zn5  1  0.3333  0.6667  0.6000  1.0
  Zn  Zn6  1  0.3333  0.6667  0.9000  1.0
  Zn  Zn7  1  0.6667  0.3333  0.2000  1.0
  Zn  Zn8  1  0.6667  0.3333  0.5000  1.0
  Zn  Zn9  1  0.6667  0.3333  0.8000  1.0
  S  S10  1  0.0000  0.0000  0.3250  1.0
  S  S11  1  0.0000  0.0000  0.6250  1.0
  S  S12  1  0.0000  0.0000  0.9250  1.0
  S  S13  1  0.3333  0.6667  0.0251  1.0
  S  S14  1  0.3333  0.6667  0.2251  1.0
  S  S15  1  0.3333  0.6667  0.5250  1.0
  S  S16  1  0.3333  0.6667  0.8250  1.0
  S  S17  1  0.6667  0.3333  0.1250  1.0
  S  S18  1  0.6667  0.3333  0.4250  1.0
  S  S19  1  0.6667  0.3333  0.7250  1.0
]