data_[Y1Al2Ga3]
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 [P-3m1]
_cell_length_a [4.5949]
_cell_length_b [4.5949]
_cell_length_c [6.2640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [YAl2Ga3]
_chemical_formula_sum '[Y1 Al2 Ga3]'
_cell_volume [114.5322]
_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
[
  Y  Y0  1  0.0000  0.0000  0.0000  1.0
  Al  Al1  2  0.3333  0.6667  0.3009  1.0
  Ga  Ga2  2  0.3333  0.6667  0.7427  1.0
  Ga  Ga3  1  0.0000  0.0000  0.5000  1.0
]