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 [P2_1/m]
_cell_length_a [10.2527]
_cell_length_b [4.9667]
_cell_length_c [10.5334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsSrI3]
_chemical_formula_sum '[Cs2 Sr2 I6]'
_cell_volume [533.4449]
_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  0.1244  0.7500  0.7887  1.0
  Sr  Sr1  2  0.3423  0.2500  0.3454  1.0
  I  I2  2  0.1435  0.7500  0.4085  1.0
  I  I3  2  0.2153  0.2500  0.0569  1.0
  I  I4  2  0.4340  0.2500  0.6656  1.0
]