data_[Hg4Ge4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.3030]
_cell_length_b [5.5315]
_cell_length_c [11.7180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [HgGeN]
_chemical_formula_sum '[Hg4 Ge4 N4]'
_cell_volume [278.9138]
_cell_formula_units_Z [4]
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
[
  Hg  Hg0  2  0.0000  0.0000  0.4799  1
  Hg  Hg1  2  0.0000  0.5000  0.1710  1
  Ge  Ge2  2  0.0000  0.0000  0.0338  1
  Ge  Ge3  2  0.0000  0.5000  0.4148  1
  N  N4  4  0.1306  0.5000  0.7558  1
]