data_[Cd4B4Ir4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.4399]
_cell_length_b [8.4441]
_cell_length_c [7.0201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5323]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CdBIrO5]
_chemical_formula_sum '[Cd4 B4 Ir4 O20]'
_cell_volume [344.4663]
_cell_formula_units_Z [4]
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
[
  Cd  Cd0  4  0.0000  0.3442  0.2500  1.0
  B  B1  4  0.0000  0.3099  0.7500  1.0
  Ir  Ir2  4  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.0984  0.2183  0.6296  1.0
  O  O4  8  0.1752  0.4264  0.9038  1.0
  O  O5  4  0.0000  0.0862  0.2500  1.0
]