data_[Ba12Hg4Au2N2]
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
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.0636]
_cell_length_b [8.5431]
_cell_length_c [13.9925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.7419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Hg2AuN]
_chemical_formula_sum '[Ba12 Hg4 Au2 N2]'
_cell_volume [801.5387]
_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  0.1221  0.5235  0.2283  1.0
  Ba  Ba1  4  0.2121  0.2134  0.0500  1.0
  Ba  Ba2  4  0.3428  0.6727  0.0530  1.0
  Hg  Hg3  4  0.2881  0.5896  0.7499  1.0
  Au  Au4  2  0.5000  0.0000  0.0000  1.0
  N  N5  2  0.0000  0.0000  0.5000  1.0
]