data_[Nd6Hg4Pd8]
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 [10.0174]
_cell_length_b [4.5312]
_cell_length_c [9.2702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9852]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(HgPd2)2]
_chemical_formula_sum '[Nd6 Hg4 Pd8]'
_cell_volume [420.5300]
_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
[
  Nd  Nd0  4  0.1300  0.5000  0.3823  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.1718  0.5000  0.7784  1.0
  Pd  Pd3  4  0.0754  0.0000  0.6243  1.0
  Pd  Pd4  4  0.2077  0.5000  0.0832  1.0
]