data_[Cs8Sr8I24]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [12.9031]
_cell_length_b [19.1386]
_cell_length_c [8.3253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [CsSrI3]
_chemical_formula_sum '[Cs8 Sr8 I24]'
_cell_volume [2055.9218]
_cell_formula_units_Z [8]
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  0.2500  0.1697  0.2500  1.0
  Sr  Sr1  8  0.0000  0.1139  0.6723  1.0
  I  I2  8  0.0000  0.0560  0.2880  1.0
  I  I3  8  0.0000  0.2354  0.9745  1.0
  I  I4  8  0.2500  0.1183  0.7500  1.0
]