data_[Nd6Hg6Pd4]
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 [17.9949]
_cell_length_b [4.3622]
_cell_length_c [5.2678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3Hg3Pd2]
_chemical_formula_sum '[Nd6 Hg6 Pd4]'
_cell_volume [406.1528]
_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  0.1594  0.0000  0.6018  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.1309  0.5000  0.0859  1.0
  Hg  Hg3  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd4  4  0.2341  0.0000  0.1550  1.0
]