data_[Rb1Ir1Se2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ir  2.2000  1.3500  0.7650
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0878]
_cell_length_b [5.2578]
_cell_length_c [8.6512]
_cell_angle_alpha [72.7802]
_cell_angle_beta [76.3072]
_cell_angle_gamma [63.5936]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbIr(SeO4)2]
_chemical_formula_sum '[Rb1 Ir1 Se2 O8]'
_cell_volume [196.4900]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.5000  1.0
  Ir  Ir1  1  0.0000  0.0000  0.0000  1.0
  Se  Se2  2  0.3128  0.2785  0.1808  1.0
  O  O3  2  0.1445  0.1872  0.3623  1.0
  O  O4  2  0.2176  0.2330  0.0161  1.0
  O  O5  2  0.2724  0.6371  0.1446  1.0
  O  O6  2  0.3127  0.9179  0.8010  1.0
]