data_[Ga8Pd8Au4]
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 [Cmc2_1]
_cell_length_a [4.0340]
_cell_length_b [14.1324]
_cell_length_c [5.7793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ga2Pd2Au]
_chemical_formula_sum '[Ga8 Pd8 Au4]'
_cell_volume [329.4741]
_cell_formula_units_Z [4]
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  0.0000  0.2088  0.1519  1.0
  Ga  Ga1  4  0.0000  0.4346  0.9775  1.0
  Pd  Pd2  4  0.0000  0.0241  0.2120  1.0
  Pd  Pd3  4  0.0000  0.1744  0.5888  1.0
  Au  Au4  4  0.0000  0.3734  0.4354  1.0
]