data_[Nd24Hg10N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7939]
_cell_length_b [7.4608]
_cell_length_c [8.7545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8484]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd12Hg5N2]
_chemical_formula_sum '[Nd24 Hg10 N4]'
_cell_volume [1104.7081]
_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  0.1456  0.2537  0.1564  1
  Nd  Nd1  8  0.1472  0.2512  0.6468  1
  Nd  Nd2  4  0.0047  0.5000  0.8009  1
  Nd  Nd3  4  0.0116  0.0000  0.8359  1
  Hg  Hg4  4  0.2475  0.5000  0.4999  1
  Hg  Hg5  4  0.2480  0.5000  0.9959  1
  Hg  Hg6  2  0.0000  0.0000  0.5000  1
  N  N7  4  0.0000  0.2650  0.0000  1
]