data_[Cs5I4N2]
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 [P2/m]
_cell_length_a [10.2056]
_cell_length_b [4.7959]
_cell_length_c [10.6078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7390]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Cs5(I2N)2]
_chemical_formula_sum '[Cs5 I4 N2]'
_cell_volume [518.9528]
_cell_formula_units_Z [1]
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  0.2019  0.0000  0.9057  1
  Cs  Cs1  2  0.3920  0.0000  0.3220  1
  Cs  Cs2  1  0.0000  0.0000  0.5000  1
  I  I3  2  0.1068  0.5000  0.2007  1
  I  I4  2  0.2997  0.5000  0.6153  1
  N  N5  2  0.4832  0.0000  0.0526  1
]