data_[Nd24Ag8Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [10.1091]
_cell_length_b [10.3953]
_cell_length_c [10.4248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd6Ag2Hg]
_chemical_formula_sum '[Nd24 Ag8 Hg4]'
_cell_volume [1095.5181]
_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  0.3264  0.2783  1
  Nd  Nd1  8  0.1767  0.0000  0.2675  1
  Nd  Nd2  8  0.1981  0.2515  0.0000  1
  Ag  Ag3  4  0.0000  0.1332  0.5000  1
  Ag  Ag4  4  0.1425  0.5000  0.5000  1
  Hg  Hg5  2  0.0000  0.0000  0.0000  1
  Hg  Hg6  2  0.0000  0.5000  0.0000  1
]