data_[Al16Zn2Ga4]
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 [C2/m]
_cell_length_a [12.1437]
_cell_length_b [7.1245]
_cell_length_c [4.8182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1816]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al8ZnGa2]
_chemical_formula_sum '[Al16 Zn2 Ga4]'
_cell_volume [407.4748]
_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
[
  Al  Al0  8  0.0651  0.3036  0.7858  1
  Al  Al1  4  0.1369  0.5000  0.3489  1
  Al  Al2  4  0.2338  0.0000  0.0589  1
  Zn  Zn3  2  0.0000  0.0000  0.0000  1
  Ga  Ga4  4  0.1298  0.0000  0.5059  1
]