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 [Pnma]
_cell_length_a [10.9204]
_cell_length_b [4.9832]
_cell_length_c [18.4278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsSrI3]
_chemical_formula_sum '[Cs4 Sr4 I12]'
_cell_volume [1002.8029]
_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  0.0725  0.7500  0.3216  1.0
  Sr  Sr1  4  0.1696  0.2500  0.0564  1.0
  I  I2  4  0.0215  0.2500  0.8969  1.0
  I  I3  4  0.1630  0.2500  0.4908  1.0
  I  I4  4  0.2057  0.7500  0.7148  1.0
]