data_[Mg12Si12Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.6110]
_cell_length_b [16.0498]
_cell_length_c [5.1547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Mg3Si3Pd2]
_chemical_formula_sum '[Mg12 Si12 Pd8]'
_cell_volume [546.9420]
_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
[
  Mg  Mg0  8  0.0114  0.6211  0.6126  1
  Mg  Mg1  4  0.1790  0.7500  0.1344  1
  Si  Si2  8  0.1844  0.5230  0.0987  1
  Si  Si3  4  0.1780  0.2500  0.1386  1
  Pd  Pd4  8  0.1198  0.1163  0.8953  1
]