data_[Cs12Co4I16N4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Co  1.8800  1.3500  0.7683
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.1011]
_cell_length_b [11.5816]
_cell_length_c [14.0902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Cs3CoI4NO3]
_chemical_formula_sum '[Cs12 Co4 I16 N4 O12]'
_cell_volume [1648.3615]
_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  8  0.1036  0.5094  0.8174  1
  Cs  Cs1  4  0.0779  0.7500  0.5515  1
  Co  Co2  4  0.1739  0.7500  0.0935  1
  I  I3  8  0.1987  0.0614  0.5523  1
  I  I4  4  0.0407  0.2500  0.0098  1
  I  I5  4  0.1233  0.7500  0.2751  1
  N  N6  4  0.1743  0.2500  0.2732  1
  O  O7  8  0.1157  0.1547  0.2886  1
  O  O8  4  0.2062  0.7500  0.7441  1
]