data_[Cs4Rb6Sr2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  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 [9.3460]
_cell_length_b [16.0763]
_cell_length_c [9.2439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Rb3SrI6]
_chemical_formula_sum '[Cs4 Rb6 Sr2 I12]'
_cell_volume [1309.0689]
_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  0.0000  0.3338  0.0000  1.0
  Rb  Rb1  4  0.0000  0.1691  0.5000  1.0
  Rb  Rb2  2  0.0000  0.5000  0.5000  1.0
  Sr  Sr3  2  0.0000  0.0000  0.0000  1.0
  I  I4  8  0.2229  0.1453  0.2323  1.0
  I  I5  4  0.2120  0.0000  0.7670  1.0
]