data_[Al3Zn6Ga18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.0090]
_cell_length_b [6.0090]
_cell_length_c [16.5267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Al(ZnGa3)2]
_chemical_formula_sum '[Al3 Zn6 Ga18]'
_cell_volume [516.7922]
_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
[
  Al  Al0  3  0.0000  0.0000  0.6331  1.0
  Zn  Zn1  3  0.0000  0.0000  0.3298  1.0
  Zn  Zn2  3  0.0000  0.0000  0.4806  1.0
  Ga  Ga3  9  0.0342  0.4423  0.5570  1.0
  Ga  Ga4  9  0.1052  0.7329  0.7400  1.0
]