data_[Sr12Tl4Hg2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  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 [7.4851]
_cell_length_b [8.5014]
_cell_length_c [13.3521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr6Tl2HgN]
_chemical_formula_sum '[Sr12 Tl4 Hg2 N2]'
_cell_volume [718.1228]
_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  0.1070  0.5351  0.2212  1.0
  Sr  Sr1  4  0.1971  0.2221  0.0541  1.0
  Sr  Sr2  4  0.3473  0.6543  0.0504  1.0
  Tl  Tl3  4  0.2894  0.5952  0.7421  1.0
  Hg  Hg4  2  0.5000  0.0000  0.0000  1.0
  N  N5  2  0.0000  0.0000  0.5000  1.0
]