data_[Cs2I2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.3610]
_cell_length_b [6.7937]
_cell_length_c [6.7938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.0304]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CsIN2]
_chemical_formula_sum '[Cs2 I2 N4]'
_cell_volume [366.1744]
_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  2  0.2026  0.0000  0.1731  1
  I  I1  2  0.4524  0.0000  0.9199  1
  N  N2  2  0.1324  0.5000  0.5948  1
  N  N3  2  0.2729  0.5000  0.7319  1
]