data_[Nd4Hg12Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [16.5708]
_cell_length_b [4.5729]
_cell_length_c [7.7547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6344]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdHg3Pd2]
_chemical_formula_sum '[Nd4 Hg12 Pd8]'
_cell_volume [542.3654]
_cell_formula_units_Z [4]
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
[
  Nd  Nd0  4  0.1169  0.0000  0.1984  1.0
  Hg  Hg1  4  0.0722  0.0000  0.7100  1.0
  Hg  Hg2  4  0.1256  0.5000  0.5279  1.0
  Hg  Hg3  4  0.1945  0.5000  0.9892  1.0
  Pd  Pd4  4  0.0107  0.5000  0.8370  1.0
  Pd  Pd5  4  0.2379  0.0000  0.6085  1.0
]