data_[Ba4Zn2Hg2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0502]
_cell_length_b [4.2519]
_cell_length_c [9.3255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2ZnHgN]
_chemical_formula_sum '[Ba4 Zn2 Hg2 N2]'
_cell_volume [297.6444]
_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
[
  Ba  Ba0  2  0.1883  0.2500  0.9637  1.0
  Ba  Ba1  2  0.1908  0.2500  0.3835  1.0
  Zn  Zn2  2  0.4309  0.7500  0.2553  1.0
  Hg  Hg3  2  0.3255  0.7500  0.7098  1.0
  N  N4  2  0.1690  0.7500  0.1715  1.0
]