data_[Ba2H4N4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2354]
_cell_length_b [5.3676]
_cell_length_c [6.8997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.7532]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaH2(NO3)2]
_chemical_formula_sum '[Ba2 H4 N4 O12]'
_cell_volume [255.1630]
_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  2  0.0000  0.0000  0.5000  1
  H  H1  4  0.0000  0.2310  0.0000  1
  N  N2  4  0.2341  0.0000  0.2736  1
  O  O3  8  0.1333  0.2141  0.2324  1
  O  O4  4  0.1685  0.5000  0.8000  1
]