data_[Al1Ga2Ni9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5755]
_cell_length_b [3.5755]
_cell_length_c [10.7328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [AlGa2Ni9]
_chemical_formula_sum '[Al1 Ga2 Ni9]'
_cell_volume [137.2122]
_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  1  0.0000  0.0000  0.0000  1
  Ga  Ga1  2  0.0000  0.0000  0.3331  1
  Ni  Ni2  4  0.0000  0.5000  0.1656  1
  Ni  Ni3  2  0.0000  0.5000  0.5000  1
  Ni  Ni4  2  0.5000  0.5000  0.3327  1
  Ni  Ni5  1  0.5000  0.5000  0.0000  1
]