data_[Ba12Ga4Hg2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  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 [7.8900]
_cell_length_b [8.8670]
_cell_length_c [13.5425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.2142]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Ga2HgN]
_chemical_formula_sum '[Ba12 Ga4 Hg2 N2]'
_cell_volume [801.5971]
_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  4  0.0916  0.0435  0.7220  1
  Ba  Ba1  4  0.1995  0.7123  0.5640  1
  Ba  Ba2  4  0.3569  0.1515  0.5611  1
  Ga  Ga3  4  0.2906  0.1042  0.2469  1
  Hg  Hg4  2  0.5000  0.0000  0.0000  1
  N  N5  2  0.0000  0.0000  0.5000  1
]