data_[Cu4Ni4Ir4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  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 [5.4345]
_cell_length_b [9.0111]
_cell_length_c [6.9286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7754]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CuNiIrO5]
_chemical_formula_sum '[Cu4 Ni4 Ir4 O20]'
_cell_volume [336.1797]
_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
[
  Cu  Cu0  4  0.0000  0.3305  0.2500  1
  Ni  Ni1  4  0.0000  0.3417  0.7500  1
  Ir  Ir2  4  0.0000  0.0000  0.0000  1
  O  O3  8  0.1645  0.1679  0.1200  1
  O  O4  8  0.1750  0.4010  0.4988  1
  O  O5  4  0.0000  0.1054  0.7500  1
]