data_[Sr12Ag2Hg4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ag  1.9300  1.6000  1.0867
  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 [7.6126]
_cell_length_b [8.2738]
_cell_length_c [12.9862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5008]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr6AgHg2N]
_chemical_formula_sum '[Sr12 Ag2 Hg4 N2]'
_cell_volume [689.8264]
_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
[
  Sr  Sr0  4  0.1136  0.0267  0.7273  1.0
  Sr  Sr1  4  0.2057  0.7180  0.5515  1.0
  Sr  Sr2  4  0.3403  0.1660  0.5495  1.0
  Ag  Ag3  2  0.5000  0.0000  0.0000  1.0
  Hg  Hg4  4  0.2900  0.0912  0.2514  1.0
  N  N5  2  0.0000  0.0000  0.5000  1.0
]