data_[Zn16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [I2_12_12_1]
_cell_length_a [4.7476]
_cell_length_b [4.9424]
_cell_length_c [10.6126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [24]
_chemical_formula_structural [Zn]
_chemical_formula_sum '[Zn16]'
_cell_volume [249.0161]
_cell_formula_units_Z [16]
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  8  0.2184  0.0466  0.6249  1.0
  Zn  Zn1  4  0.2051  0.5000  0.2500  1.0
  Zn  Zn2  4  0.2500  0.4337  0.0000  1.0
]