data_[Fe4B8Rh16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  B  2.0400  0.8500  0.4100
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [6.8539]
_cell_length_b [12.5597]
_cell_length_c [5.0568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.0112]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Fe(BRh2)2]
_chemical_formula_sum '[Fe4 B8 Rh16]'
_cell_volume [333.4081]
_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  0.3339  0.3746  0.4365  1
  B  B1  4  0.2471  0.3307  0.9484  1
  B  B2  4  0.2707  0.0963  0.5610  1
  Rh  Rh3  4  0.0457  0.0483  0.6986  1
  Rh  Rh4  4  0.0519  0.4614  0.5741  1
  Rh  Rh5  4  0.0520  0.2442  0.4722  1
  Rh  Rh6  4  0.3726  0.1821  0.3085  1
]