data_[Ba9Al3Zn24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.6501]
_cell_length_b [5.6501]
_cell_length_c [31.6529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ba3AlZn8]
_chemical_formula_sum '[Ba9 Al3 Zn24]'
_cell_volume [875.0946]
_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  3  0.0000  0.0000  0.0068  1
  Ba  Ba1  3  0.0000  0.0000  0.4928  1
  Ba  Ba2  3  0.0000  0.0000  0.6212  1
  Al  Al3  3  0.0000  0.0000  0.1159  1
  Zn  Zn4  9  0.0033  0.5017  0.5538  1
  Zn  Zn5  9  0.1749  0.3498  0.4016  1
  Zn  Zn6  3  0.0000  0.0000  0.3385  1
  Zn  Zn7  3  0.0000  0.0000  0.8085  1
]