data_[Y8Al12Ga16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.7771]
_cell_length_b [15.3711]
_cell_length_c [7.8810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Y2Al3Ga4]
_chemical_formula_sum '[Y8 Al12 Ga16]'
_cell_volume [699.8347]
_cell_formula_units_Z [4]
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
[
  Y  Y0  8  0.0000  0.1123  0.5867  1.0
  Al  Al1  8  0.2500  0.2204  0.2500  1.0
  Al  Al2  4  0.0000  0.0000  0.0000  1.0
  Ga  Ga3  8  0.0000  0.1804  0.9622  1.0
  Ga  Ga4  8  0.2500  0.0523  0.2500  1.0
]