data_[Cs4Sr2I8]
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 [15.5185]
_cell_length_b [5.0016]
_cell_length_c [10.3887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9874]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2SrI4]
_chemical_formula_sum '[Cs4 Sr2 I8]'
_cell_volume [724.8157]
_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  0.1549  0.5000  0.6712  1.0
  Sr  Sr1  2  0.0000  0.0000  0.0000  1.0
  I  I2  4  0.0599  0.0000  0.3445  1.0
  I  I3  4  0.1548  0.5000  0.0565  1.0
]