data_[Sm24Hg10N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [16.6528]
_cell_length_b [7.2663]
_cell_length_c [8.7029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm12Hg5N2]
_chemical_formula_sum '[Sm24 Hg10 N4]'
_cell_volume [1052.1900]
_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
[
  Sm  Sm0  8  0.1445  0.2511  0.9533  1
  Sm  Sm1  8  0.1480  0.2534  0.5280  1
  Sm  Sm2  4  0.0151  0.5000  0.2002  1
  Sm  Sm3  4  0.0245  0.0000  0.1759  1
  Hg  Hg4  4  0.2168  0.5000  0.2480  1
  Hg  Hg5  4  0.2248  0.0000  0.2478  1
  Hg  Hg6  2  0.0000  0.0000  0.5000  1
  N  N7  4  0.0000  0.2615  0.0000  1
]