data_[Nd24Zn8Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [10.0632]
_cell_length_b [10.2210]
_cell_length_c [10.3616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd6Zn2Hg]
_chemical_formula_sum '[Nd24 Zn8 Hg4]'
_cell_volume [1065.7505]
_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  8  0.0000  0.2829  0.3212  1.0
  Nd  Nd1  8  0.1812  0.2678  0.0000  1.0
  Nd  Nd2  8  0.2038  0.0000  0.2475  1.0
  Zn  Zn3  4  0.0000  0.5000  0.1237  1.0
  Zn  Zn4  4  0.1336  0.5000  0.5000  1.0
  Hg  Hg5  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg6  2  0.0000  0.0000  0.5000  1.0
]