data_[Hg1Bi2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3177]
_cell_length_b [6.2855]
_cell_length_c [8.7043]
_cell_angle_alpha [87.8996]
_cell_angle_beta [86.1440]
_cell_angle_gamma [70.2562]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hg(BiN)2]
_chemical_formula_sum '[Hg1 Bi2 N2]'
_cell_volume [221.8109]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Bi  Bi1  2  0.2111  0.5464  0.1194  1
  N  N2  2  0.4755  0.9191  0.4952  1
]