data_[Mg24Pd8Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.3040]
_cell_length_b [6.6746]
_cell_length_c [14.2412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4084]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg3PdAu]
_chemical_formula_sum '[Mg24 Pd8 Au8]'
_cell_volume [760.9567]
_cell_formula_units_Z [8]
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
[
  Mg  Mg0  8  0.0800  0.2041  0.1634  1
  Mg  Mg1  8  0.1558  0.4331  0.9655  1
  Mg  Mg2  8  0.1793  0.2408  0.6503  1
  Pd  Pd3  8  0.1425  0.0924  0.8388  1
  Au  Au4  4  0.0000  0.0000  0.0000  1
  Au  Au5  4  0.0000  0.4682  0.7500  1
]