data_[Ce3Y3Ga6Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [R-3m]
_cell_length_a [4.7161]
_cell_length_b [4.7161]
_cell_length_c [26.2086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CeY(GaAu2)2]
_chemical_formula_sum '[Ce3 Y3 Ga6 Au12]'
_cell_volume [504.8182]
_cell_formula_units_Z [3]
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
[
  Ce  Ce0  3  0.0000  0.0000  0.0000  1
  Y  Y1  3  -0.0000  -0.0000  0.5000  1
  Ga  Ga2  6  0.0000  0.0000  0.2494  1
  Au  Au3  6  0.0000  0.0000  0.1195  1
  Au  Au4  6  0.0000  0.0000  0.3859  1
]