data_[Y16Al4Ga4]
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 [C2/c]
_cell_length_a [9.0329]
_cell_length_b [13.6723]
_cell_length_c [6.0978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5756]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4AlGa]
_chemical_formula_sum '[Y16 Al4 Ga4]'
_cell_volume [673.5122]
_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  0.1227  0.1816  0.0836  1.0
  Y  Y1  8  0.2014  0.4281  0.3041  1.0
  Al  Al2  4  0.0000  0.3714  0.7500  1.0
  Ga  Ga3  4  0.0000  0.0008  0.2500  1.0
]