data_[Ba12Hg2As4N2]
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
  As  2.1800  1.1500  0.6600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8377]
_cell_length_b [8.6800]
_cell_length_c [13.1393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8830]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6HgAs2N]
_chemical_formula_sum '[Ba12 Hg2 As4 N2]'
_cell_volume [759.0159]
_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  0.0569  0.5581  0.2214  1.0
  Ba  Ba1  4  0.2147  0.2082  0.0781  1.0
  Ba  Ba2  4  0.3580  0.6558  0.0672  1.0
  Hg  Hg3  2  0.5000  0.0000  0.0000  1.0
  As  As4  4  0.3173  0.6155  0.7634  1.0
  N  N5  2  0.0000  0.0000  0.5000  1.0
]