data_[Ga12Pd4Au2]
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 [6.1562]
_cell_length_b [6.6638]
_cell_length_c [9.2927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3932]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ga6Pd2Au]
_chemical_formula_sum '[Ga12 Pd4 Au2]'
_cell_volume [321.9006]
_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  4  0.0681  0.0118  0.1985  1.0
  Ga  Ga1  4  0.1722  0.1780  0.5620  1.0
  Ga  Ga2  4  0.4202  0.6383  0.5771  1.0
  Pd  Pd3  4  0.2737  0.6551  0.2490  1.0
  Au  Au4  2  0.5000  0.0000  0.5000  1.0
]