data_[Mg24Hg4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.6128]
_cell_length_b [10.4981]
_cell_length_c [6.7829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Mg6HgPd3]
_chemical_formula_sum '[Mg24 Hg4 Pd12]'
_cell_volume [755.7138]
_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  0.0000  0.1461  0.0105  1
  Mg  Mg1  8  0.1612  0.5000  0.0000  1
  Mg  Mg2  8  0.2396  0.2521  0.2500  1
  Hg  Hg3  4  0.0000  0.3528  0.7500  1
  Pd  Pd4  8  0.1434  0.0047  0.7500  1
  Pd  Pd5  4  0.0000  0.3593  0.2500  1
]