data_[La6Ga9Pd36Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.2900]
_cell_length_b [9.2900]
_cell_length_c [13.2835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La2Ga3Pd12Au]
_chemical_formula_sum '[La6 Ga9 Pd36 Au3]'
_cell_volume [992.8359]
_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
[
  La  La0  6  0.0000  0.0000  0.3510  1
  Ga  Ga1  9  0.0000  0.5000  0.5000  1
  Pd  Pd2  18  0.0014  0.5007  0.3116  1
  Pd  Pd3  18  0.0147  0.5073  0.8914  1
  Au  Au4  3  0.0000  0.0000  0.0000  1
]