data_[Zr30Al18O3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [14.2719]
_cell_length_b [14.2719]
_cell_length_c [5.6461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Zr10Al6O]
_chemical_formula_sum '[Zr30 Al18 O3]'
_cell_volume [995.9549]
_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
[
  Zr  Zr0  6  0.0162  0.3392  0.4947  1
  Zr  Zr1  6  0.3415  0.0162  0.9949  1
  Zr  Zr2  3  0.0785  0.1571  0.2608  1
  Zr  Zr3  3  0.1545  0.0773  0.7536  1
  Zr  Zr4  3  0.1772  0.5886  0.2457  1
  Zr  Zr5  3  0.2557  0.5115  0.7300  1
  Zr  Zr6  3  0.5121  0.2561  0.2286  1
  Zr  Zr7  3  0.5887  0.1774  0.7422  1
  Al  Al8  3  0.0677  0.5338  0.7533  1
  Al  Al9  3  0.1325  0.2650  0.7863  1
  Al  Al10  3  0.2006  0.4012  0.1980  1
  Al  Al11  3  0.2653  0.1327  0.2768  1
  Al  Al12  3  0.4005  0.2003  0.6977  1
  Al  Al13  3  0.5336  0.0673  0.2533  1
  O  O14  1  0.0000  0.0000  0.5083  1
  O  O15  1  0.3333  0.6667  0.4849  1
  O  O16  1  0.6667  0.3333  0.9852  1
]