data_[Cs4Sr6I16]
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 [C2/m]
_cell_length_a [18.7042]
_cell_length_b [9.8532]
_cell_length_c [8.4925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3201]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Sr3I8]
_chemical_formula_sum '[Cs4 Sr6 I16]'
_cell_volume [1485.8089]
_cell_formula_units_Z [2]
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  4  0.2333  0.5000  0.6659  1.0
  Sr  Sr1  4  0.0000  0.2576  0.0000  1.0
  Sr  Sr2  2  0.0000  0.0000  0.5000  1.0
  I  I3  8  0.1043  0.2285  0.3925  1.0
  I  I4  4  0.1001  0.0000  0.9029  1.0
  I  I5  4  0.1122  0.5000  0.9582  1.0
]