data_[Sc12Hg2Pd10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.7289]
_cell_length_b [14.1842]
_cell_length_c [6.7120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sc6HgPd5]
_chemical_formula_sum '[Sc12 Hg2 Pd10]'
_cell_volume [450.2057]
_cell_formula_units_Z [2]
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
[
  Sc  Sc0  8  0.0000  0.1703  0.2541  1
  Sc  Sc1  4  0.0000  0.5000  0.2599  1
  Hg  Hg2  2  0.0000  0.0000  0.0000  1
  Pd  Pd3  4  0.0000  0.3327  0.0000  1
  Pd  Pd4  4  0.0000  0.3348  0.5000  1
  Pd  Pd5  2  0.0000  0.0000  0.5000  1
]