data_[Dy2Hg6Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  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 [7.8909]
_cell_length_b [4.8050]
_cell_length_c [10.1972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8914]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Dy(HgPd2)3]
_chemical_formula_sum '[Dy2 Hg6 Pd12]'
_cell_volume [363.5660]
_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
[
  Dy  Dy0  2  0.0073  0.7500  0.3449  1.0
  Hg  Hg1  2  0.1758  0.7500  0.1070  1.0
  Hg  Hg2  2  0.3966  0.2500  0.2797  1.0
  Hg  Hg3  2  0.4058  0.2500  0.7777  1.0
  Pd  Pd4  2  0.0093  0.2500  0.1781  1.0
  Pd  Pd5  2  0.2086  0.7500  0.6379  1.0
  Pd  Pd6  2  0.2093  0.2500  0.9651  1.0
  Pd  Pd7  2  0.2112  0.2500  0.4799  1.0
  Pd  Pd8  2  0.3948  0.7500  0.4300  1.0
  Pd  Pd9  2  0.3961  0.7500  0.9322  1.0
]