data_[Ga2Pd12Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/c]
_cell_length_a [6.4256]
_cell_length_b [7.3981]
_cell_length_c [8.8710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.3146]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ga(Pd2Au)3]
_chemical_formula_sum '[Ga2 Pd12 Au6]'
_cell_volume [339.8008]
_cell_formula_units_Z [2]
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
[
  Ga  Ga0  2  0.0000  0.0000  0.0000  1
  Pd  Pd1  4  0.0183  0.1547  0.7463  1
  Pd  Pd2  4  0.3144  0.2439  0.1177  1
  Pd  Pd3  4  0.3858  0.6280  0.5269  1
  Au  Au4  4  0.2052  0.6089  0.1423  1
  Au  Au5  2  0.5000  0.0000  0.5000  1
]