data_[Sm12Hg6N2]
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 [P2_1/c]
_cell_length_a [6.6245]
_cell_length_b [8.1967]
_cell_length_c [11.7267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4178]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sm6Hg3N]
_chemical_formula_sum '[Sm12 Hg6 N2]'
_cell_volume [554.6482]
_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  4  0.0732  0.5514  0.7242  1.0
  Sm  Sm1  4  0.1824  0.2239  0.5637  1.0
  Sm  Sm2  4  0.3740  0.6456  0.5519  1.0
  Hg  Hg3  4  0.3165  0.6127  0.2363  1.0
  Hg  Hg4  2  0.5000  0.0000  0.5000  1.0
  N  N5  2  0.0000  0.0000  0.0000  1.0
]