data_[Co8Cu8H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.2361]
_cell_length_b [10.5094]
_cell_length_c [4.6713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5681]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CoCuH2]
_chemical_formula_sum '[Co8 Cu8 H16]'
_cell_volume [216.6318]
_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  4  0.0000  0.0628  0.2500  1
  Co  Co1  4  0.0000  0.1890  0.7500  1
  Cu  Cu2  4  0.0000  0.3147  0.2500  1
  Cu  Cu3  4  0.0000  0.4378  0.7500  1
  H  H4  8  0.1783  0.0646  0.6838  1
  H  H5  8  0.2143  0.1895  0.1847  1
]