data_[Ho2Hg6Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  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 [7.8911]
_cell_length_b [4.7853]
_cell_length_c [10.3504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3410]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ho(HgPd2)3]
_chemical_formula_sum '[Ho2 Hg6 Pd12]'
_cell_volume [361.5091]
_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
[
  Ho  Ho0  2  0.3048  0.2500  0.3705  1.0
  Hg  Hg1  2  0.1107  0.2500  0.5895  1.0
  Hg  Hg2  2  0.2702  0.7500  0.0258  1.0
  Hg  Hg3  2  0.4763  0.7500  0.8264  1.0
  Pd  Pd4  2  0.0821  0.7500  0.7259  1.0
  Pd  Pd5  2  0.0890  0.7500  0.2247  1.0
  Pd  Pd6  2  0.1120  0.2500  0.0745  1.0
  Pd  Pd7  2  0.2897  0.7500  0.5307  1.0
  Pd  Pd8  2  0.3101  0.2500  0.8807  1.0
  Pd  Pd9  2  0.4950  0.7500  0.3258  1.0
]