data_[Sm8Hg4N2]
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 [Pbam]
_cell_length_a [7.9633]
_cell_length_b [12.8258]
_cell_length_c [3.6763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Sm4Hg2N]
_chemical_formula_sum '[Sm8 Hg4 N2]'
_cell_volume [375.4795]
_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  0.1127  0.6819  0.0000  1
  Sm  Sm1  4  0.2002  0.4520  0.5000  1
  Hg  Hg2  4  0.0680  0.1558  0.5000  1
  N  N3  2  0.0000  0.5000  0.0000  1
]