data_[Ba8Al2Zn8]
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 [P4_2/n]
_cell_length_a [9.5078]
_cell_length_b [9.5078]
_cell_length_c [6.8304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [86]
_chemical_formula_structural [Ba4AlZn4]
_chemical_formula_sum '[Ba8 Al2 Zn8]'
_cell_volume [617.4488]
_cell_formula_units_Z [2]
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  8  0.0675  0.7209  0.8535  1
  Al  Al1  2  0.0000  0.0000  0.5000  1
  Zn  Zn2  8  0.1206  0.7746  0.3547  1
]