data_[Y2Hg6Pd12]
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 [P2_1/m]
_cell_length_a [8.0543]
_cell_length_b [4.7631]
_cell_length_c [10.0289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1796]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y(HgPd2)3]
_chemical_formula_sum '[Y2 Hg6 Pd12]'
_cell_volume [363.3855]
_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  2  0.0835  0.2500  0.7282  1.0
  Hg  Hg1  2  0.1162  0.7500  0.0531  1.0
  Hg  Hg2  2  0.4930  0.7500  0.6463  1.0
  Hg  Hg3  2  0.4932  0.2500  0.8388  1.0
  Pd  Pd4  2  0.1034  0.7500  0.5643  1.0
  Pd  Pd5  2  0.1129  0.2500  0.2322  1.0
  Pd  Pd6  2  0.2773  0.2500  0.5261  1.0
  Pd  Pd7  2  0.3013  0.7500  0.3581  1.0
  Pd  Pd8  2  0.3070  0.2500  0.0368  1.0
  Pd  Pd9  2  0.3078  0.7500  0.8610  1.0
]