data_[Cs4Sr4I12]
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/c]
_cell_length_a [11.6378]
_cell_length_b [8.3562]
_cell_length_c [11.9618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4700]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsSrI3]
_chemical_formula_sum '[Cs4 Sr4 I12]'
_cell_volume [1067.0232]
_cell_formula_units_Z [4]
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  0.3836  0.2331  0.3622  1.0
  Sr  Sr1  4  0.0911  0.7414  0.6183  1.0
  I  I2  4  0.0736  0.5640  0.8651  1.0
  I  I3  4  0.1888  0.0861  0.0340  1.0
  I  I4  4  0.3818  0.6905  0.2955  1.0
]