data_[Sr1Bi2Ir1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Bi  2.0200  1.6000  1.0350
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.1437]
_cell_length_b [6.9822]
_cell_length_c [5.1642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2243]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrBi2IrO8]
_chemical_formula_sum '[Sr1 Bi2 Ir1 O8]'
_cell_volume [185.3307]
_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
[
  Sr  Sr0  1  0.0000  0.5000  0.0000  1.0
  Bi  Bi1  2  0.5000  0.2491  0.5000  1.0
  Ir  Ir2  1  0.0000  0.0000  0.0000  1.0
  O  O3  4  0.2159  0.2014  0.1555  1.0
  O  O4  2  0.2137  0.0000  0.7092  1.0
  O  O5  2  0.2992  0.5000  0.6481  1.0
]