data_[Nd24Mg4Hg10]
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 [C2/m]
_cell_length_a [13.6776]
_cell_length_b [10.2115]
_cell_length_c [8.4720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3405]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd12Mg2Hg5]
_chemical_formula_sum '[Nd24 Mg4 Hg10]'
_cell_volume [1167.5810]
_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  8  0.1187  0.2917  0.3712  1
  Nd  Nd1  8  0.1470  0.1813  0.8101  1
  Nd  Nd2  4  0.0985  0.5000  0.6912  1
  Nd  Nd3  4  0.1051  0.0000  0.1575  1
  Mg  Mg4  4  0.0000  0.3381  0.0000  1
  Hg  Hg5  4  0.1748  0.5000  0.0617  1
  Hg  Hg6  4  0.2164  0.0000  0.5167  1
  Hg  Hg7  2  0.0000  0.0000  0.5000  1
]