data_[Ca4Cu4Ir4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cu  1.9000  1.3500  0.8200
  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 [6.3559]
_cell_length_b [9.4066]
_cell_length_c [7.2412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8695]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaCuIrO5]
_chemical_formula_sum '[Ca4 Cu4 Ir4 O20]'
_cell_volume [401.7767]
_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
[
  Ca  Ca0  4  0.0000  0.3361  0.2500  1.0
  Cu  Cu1  4  0.0000  0.3161  0.7500  1.0
  Ir  Ir2  4  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.0976  0.1919  0.5962  1.0
  O  O4  8  0.1856  0.4537  0.9343  1.0
  O  O5  4  0.0000  0.0819  0.2500  1.0
]