data_[Ba12Hg4H2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7120]
_cell_length_b [8.0683]
_cell_length_c [8.0316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.8921]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6Hg2HN]
_chemical_formula_sum '[Ba12 Hg4 H2 N2]'
_cell_volume [719.8413]
_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  8  0.0452  0.2588  0.2823  1.0
  Ba  Ba1  4  0.2406  0.5000  0.1564  1.0
  Hg  Hg2  4  0.2485  0.0000  0.2617  1.0
  H  H3  2  0.0000  0.0000  0.5000  1.0
  N  N4  2  0.0000  0.5000  0.0000  1.0
]