data_[Al2Zn3Ga3]
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 [P-1]
_cell_length_a [3.9448]
_cell_length_b [4.1430]
_cell_length_c [8.7404]
_cell_angle_alpha [100.9995]
_cell_angle_beta [101.5142]
_cell_angle_gamma [93.4035]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Al2(ZnGa)3]
_chemical_formula_sum '[Al2 Zn3 Ga3]'
_cell_volume [136.6942]
_cell_formula_units_Z [1]
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  2  0.2491  0.2524  0.5004  1.0
  Zn  Zn1  2  0.1155  0.6649  0.2549  1.0
  Zn  Zn2  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga3  2  0.3845  0.8463  0.7493  1.0
  Ga  Ga4  1  0.5000  0.5000  0.0000  1.0
]