data_[Nd16Mg8Hg24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.9764]
_cell_length_b [10.1259]
_cell_length_c [17.5147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Nd2MgHg3]
_chemical_formula_sum '[Nd16 Mg8 Hg24]'
_cell_volume [1237.2778]
_cell_formula_units_Z [8]
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  8  0.2410  0.0000  0.0000  1.0
  Nd  Nd1  8  0.2500  0.2500  0.2500  1.0
  Mg  Mg2  8  0.0000  0.0000  0.3332  1.0
  Hg  Hg3  16  0.0000  0.2423  0.4149  1.0
  Hg  Hg4  8  0.0000  0.0000  0.1701  1.0
]