data_[Y4Ga8Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0517]
_cell_length_b [4.4897]
_cell_length_c [6.7720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8911]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YGa2Au3]
_chemical_formula_sum '[Y4 Ga8 Au12]'
_cell_volume [469.3861]
_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  4  0.1223  0.0000  0.1762  1.0
  Ga  Ga1  4  0.0104  0.5000  0.8067  1.0
  Ga  Ga2  4  0.2279  0.0000  0.6725  1.0
  Au  Au3  4  0.0641  0.0000  0.6983  1.0
  Au  Au4  4  0.1393  0.5000  0.4957  1.0
  Au  Au5  4  0.1890  0.5000  0.9406  1.0
]