data_[Fe16H12Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [9.1880]
_cell_length_b [4.5968]
_cell_length_c [6.8557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1752]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Fe4H3Rh]
_chemical_formula_sum '[Fe16 H12 Rh4]'
_cell_volume [268.1329]
_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
[
  Fe  Fe0  4  0.1002  0.1660  0.9638  1
  Fe  Fe1  4  0.2026  0.3289  0.6676  1
  Fe  Fe2  4  0.3024  0.1771  0.3592  1
  Fe  Fe3  4  0.3999  0.3392  0.0597  1
  H  H4  4  0.0982  0.0070  0.7135  1
  H  H5  4  0.2056  0.4993  0.9170  1
  H  H6  4  0.3017  0.0015  0.1051  1
  Rh  Rh7  4  0.4995  0.1626  0.7642  1
]