data_[Ga12Pd10Au2]
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 [Cmmm]
_cell_length_a [4.4120]
_cell_length_b [13.4081]
_cell_length_c [6.2700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ga6Pd5Au]
_chemical_formula_sum '[Ga12 Pd10 Au2]'
_cell_volume [370.9047]
_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  8  0.0000  0.1712  0.2562  1
  Ga  Ga1  4  0.0000  0.5000  0.2532  1
  Pd  Pd2  4  0.0000  0.3304  0.0000  1
  Pd  Pd3  4  0.0000  0.3396  0.5000  1
  Pd  Pd4  2  0.0000  0.0000  0.5000  1
  Au  Au5  2  0.0000  0.0000  0.0000  1
]