data_[Cs2Sr2I6]
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 [Cm]
_cell_length_a [9.1541]
_cell_length_b [9.1523]
_cell_length_c [6.4648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CsSrI3]
_chemical_formula_sum '[Cs2 Sr2 I6]'
_cell_volume [541.6244]
_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  2  0.4982  0.5000  0.9996  1.0
  Sr  Sr1  2  0.4943  0.0000  0.5177  1.0
  I  I2  4  0.2493  0.2516  0.5135  1.0
  I  I3  2  0.0122  0.5000  0.0168  1.0
]