data_[Cs3Sr3Co6I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  Co  1.8800  1.3500  0.7683
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.5578]
_cell_length_b [7.5578]
_cell_length_c [32.8007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CsSr(CoI4)2]
_chemical_formula_sum '[Cs3 Sr3 Co6 I24]'
_cell_volume [1622.5865]
_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
  Sr  Sr1  3  0.0000  0.0000  0.0000  1
  Co  Co2  6  0.0000  0.0000  0.2485  1
  I  I3  18  0.0016  0.3563  0.9401  1
  I  I4  6  0.0000  0.0000  0.1719  1
]