data_[Cs3Cr3H54N18Cl12O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cr  1.6600  1.4000  0.9400
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.1632]
_cell_length_b [7.1632]
_cell_length_c [26.9444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CsCrH18N6(ClO2)4]
_chemical_formula_sum '[Cs3 Cr3 H54 N18 Cl12 O24]'
_cell_volume [1197.3135]
_cell_formula_units_Z [3]
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  3  -0.0000  0.0000  0.5000  1
  Cr  Cr1  3  0.0000  0.0000  0.0000  1
  H  H2  18  0.0026  0.3716  0.7182  1
  H  H3  18  0.0585  0.5043  0.5892  1
  H  H4  18  0.0783  0.5354  0.3583  1
  N  N5  18  0.0592  0.5726  0.6227  1
  Cl  Cl6  6  0.0000  0.0000  0.1886  1
  Cl  Cl7  6  0.0000  0.0000  0.3711  1
  O  O8  18  0.0701  0.2171  0.2069  1
  O  O9  6  0.0000  0.0000  0.1344  1
]