data_[Cs4H16N4O4]
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 [9.6954]
_cell_length_b [5.3880]
_cell_length_c [8.5437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsH4NO]
_chemical_formula_sum '[Cs4 H16 N4 O4]'
_cell_volume [386.6686]
_cell_formula_units_Z [4]
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  0.0812  0.0000  0.8254  1.0
  H  H1  8  0.1963  0.3445  0.3221  1.0
  H  H2  4  0.1383  0.5000  0.7124  1.0
  H  H3  4  0.1911  0.5000  0.4882  1.0
  N  N4  4  0.1505  0.5000  0.3509  1.0
  O  O5  4  0.2462  0.0000  0.2353  1.0
]