data_[Mg24Zn4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [8.6761]
_cell_length_b [15.6629]
_cell_length_c [5.4699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Mg6ZnPd3]
_chemical_formula_sum '[Mg24 Zn4 Pd12]'
_cell_volume [743.3171]
_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  0.1775  0.4807  0.9533  1
  Mg  Mg1  8  0.2370  0.1940  0.6487  1
  Mg  Mg2  4  0.0000  0.0370  0.7562  1
  Mg  Mg3  4  0.0000  0.3363  0.7485  1
  Zn  Zn4  4  0.0000  0.2213  0.3196  1
  Pd  Pd5  8  0.1864  0.1224  0.1085  1
  Pd  Pd6  4  0.0000  0.3877  0.2693  1
]