data_[Cs4H14N4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9867]
_cell_length_b [9.4956]
_cell_length_c [4.7885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2611]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2H7N2]
_chemical_formula_sum '[Cs4 H14 N4]'
_cell_volume [579.1278]
_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  0.0000  0.2066  0.5000  1.0
  H  H1  8  0.2474  0.0852  0.8675  1.0
  H  H2  4  0.1455  0.0000  0.9503  1.0
  H  H3  2  0.0000  0.0000  0.0000  1.0
  N  N4  4  0.1988  0.0000  0.8143  1.0
]