data_[Rb4Sr2Sc2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sr  0.9500  2.0000  1.3200
  Sc  1.3600  1.6000  0.8850
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [8.5935]
_cell_length_b [12.3915]
_cell_length_c [8.9366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Rb2SrScI6]
_chemical_formula_sum '[Rb4 Sr2 Sc2 I12]'
_cell_volume [951.6180]
_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
[
  Rb  Rb0  4  0.0000  0.2858  0.7911  1
  Sr  Sr1  2  0.0000  0.5000  0.2709  1
  Sc  Sc2  2  0.0000  0.0000  0.2336  1
  I  I3  4  0.0000  0.2399  0.2308  1
  I  I4  4  0.2403  0.0000  0.9939  1
  I  I5  4  0.2487  0.0000  0.4618  1
]