data_[Co40H96Ir24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [10.3793]
_cell_length_b [10.3793]
_cell_length_c [10.3793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Co5(H4Ir)3]
_chemical_formula_sum '[Co40 H96 Ir24]'
_cell_volume [1118.1453]
_cell_formula_units_Z [8]
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
[
  Co  Co0  24  0.0000  0.2500  0.3750  1
  Co  Co1  16  0.0000  0.0000  0.0000  1
  H  H2  96  0.0169  0.5663  0.3482  1
  Ir  Ir3  24  0.0000  0.2500  0.1250  1
]