data_[Nd24Sm4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.6788]
_cell_length_b [11.6723]
_cell_length_c [6.2668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5700]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd6SmHg2]
_chemical_formula_sum '[Nd24 Sm4 Hg8]'
_cell_volume [1141.4600]
_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  0.0580  0.3775  0.0063  1.0
  Nd  Nd1  8  0.1180  0.1521  0.3123  1.0
  Nd  Nd2  8  0.2265  0.1252  0.8321  1.0
  Sm  Sm3  4  0.0000  0.1029  0.7500  1.0
  Hg  Hg4  8  0.1653  0.3737  0.5958  1.0
]