data_[Y4Hg2Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6923]
_cell_length_b [4.2533]
_cell_length_c [6.5952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4523]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2HgPd8]
_chemical_formula_sum '[Y4 Hg2 Pd16]'
_cell_volume [393.1661]
_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
[
  Y  Y0  4  0.2164  0.0000  0.6659  1
  Hg  Hg1  2  0.0000  0.5000  0.0000  1
  Pd  Pd2  4  0.0357  0.0000  0.7218  1
  Pd  Pd3  4  0.0905  0.5000  0.4468  1
  Pd  Pd4  4  0.1435  0.0000  0.1830  1
  Pd  Pd5  4  0.1717  0.5000  0.9010  1
]