data_[Cr8H12Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  H  2.2000  0.2500  0.0000
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2257]
_cell_length_b [2.7688]
_cell_length_c [12.0389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8376]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cr2(HRh)3]
_chemical_formula_sum '[Cr8 H12 Rh12]'
_cell_volume [307.4870]
_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
[
  Cr  Cr0  2  0.1416  0.5000  0.9364  1
  Cr  Cr1  2  0.3831  0.0000  0.0362  1
  Cr  Cr2  2  0.3864  0.0000  0.4215  1
  Cr  Cr3  2  0.4083  0.5000  0.6008  1
  H  H4  2  0.0105  0.0000  0.7293  1
  H  H5  2  0.2507  0.5000  0.0727  1
  H  H6  2  0.2655  0.0000  0.8982  1
  H  H7  2  0.2689  0.0000  0.2974  1
  H  H8  2  0.2982  0.5000  0.4810  1
  H  H9  2  0.3092  0.5000  0.7321  1
  Rh  Rh10  2  0.0855  0.0000  0.3421  1
  Rh  Rh11  2  0.0945  0.0000  0.1133  1
  Rh  Rh12  2  0.1200  0.5000  0.5357  1
  Rh  Rh13  2  0.1930  0.0000  0.7275  1
  Rh  Rh14  2  0.3383  0.5000  0.2221  1
  Rh  Rh15  2  0.4263  0.5000  0.8581  1
]