data_[Rb2Se2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Se  2.5500  1.1500  1.0133
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9406]
_cell_length_b [9.4629]
_cell_length_c [7.9725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7989]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbSeI3]
_chemical_formula_sum '[Rb2 Se2 I6]'
_cell_volume [445.0232]
_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  2  0.1941  0.7500  0.6665  1.0
  Se  Se1  2  0.0000  0.0000  0.0000  1.0
  I  I2  4  0.3014  0.5001  0.3070  1.0
  I  I3  2  0.2105  0.2500  0.8962  1.0
]