data_[As2Ir2O5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8394]
_cell_length_b [3.8394]
_cell_length_c [6.9160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [As2Ir2O5]
_chemical_formula_sum '[As2 Ir2 O5]'
_cell_volume [101.9468]
_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
[
  As  As0  1  0.0000  0.0000  0.0000  1
  As  As1  1  0.0000  0.0000  0.5000  1
  Ir  Ir2  2  0.5000  0.5000  0.1959  1
  O  O3  4  0.0000  0.5000  0.2711  1
  O  O4  1  0.5000  0.5000  0.5000  1
]