data_[Ba6Zn51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.3918]
_cell_length_b [9.3918]
_cell_length_c [13.4750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2Zn17]
_chemical_formula_sum '[Ba6 Zn51]'
_cell_volume [1029.3278]
_cell_formula_units_Z [3]
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
[
  Ba  Ba0  6  0.0000  0.0000  0.3402  1.0
  Zn  Zn1  18  0.0000  0.2846  0.0000  1.0
  Zn  Zn2  18  0.0030  0.5015  0.8428  1.0
  Zn  Zn3  9  0.0000  0.5000  0.5000  1.0
  Zn  Zn4  6  0.0000  0.0000  0.0998  1.0
]