data_[Rb4Sr6I16]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9988]
_cell_length_b [9.8086]
_cell_length_c [8.4097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Sr3I8]
_chemical_formula_sum '[Rb4 Sr6 I16]'
_cell_volume [1406.9830]
_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  0.2327  0.5000  0.6596  1
  Sr  Sr1  4  0.0000  0.2577  0.0000  1
  Sr  Sr2  2  0.0000  0.0000  0.5000  1
  I  I3  8  0.1098  0.2296  0.3964  1
  I  I4  4  0.1050  0.0000  0.9069  1
  I  I5  4  0.1141  0.5000  0.9449  1
]