data_[Cu9H27Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [4.5963]
_cell_length_b [4.5963]
_cell_length_c [20.2933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Cu3H9Rh4]
_chemical_formula_sum '[Cu9 H27 Rh12]'
_cell_volume [371.2705]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0004  1
  Cu  Cu1  3  0.0000  0.0000  0.4181  1
  Cu  Cu2  3  0.0000  0.0000  0.8343  1
  H  H3  9  0.0211  0.7391  0.6258  1
  H  H4  9  0.0733  0.3873  0.8756  1
  H  H5  9  0.0734  0.3427  0.7484  1
  Rh  Rh6  3  0.0000  0.0000  0.1370  1
  Rh  Rh7  3  0.0000  0.0000  0.2840  1
  Rh  Rh8  3  0.0000  0.0000  0.5516  1
  Rh  Rh9  3  0.0000  0.0000  0.6988  1
]