data_[Cs4H2N4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [11.4727]
_cell_length_b [5.9069]
_cell_length_c [7.1546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6937]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2H(NO3)2]
_chemical_formula_sum '[Cs4 H2 N4 O12]'
_cell_volume [447.3160]
_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
[
  Cs  Cs0  4  0.1880  0.5000  0.2144  1
  H  H1  2  0.0000  0.5000  0.5000  1
  N  N2  4  0.0048  0.0000  0.2334  1
  O  O3  8  0.0548  0.1863  0.8131  1
  O  O4  4  0.1244  0.0000  0.3269  1
]