data_[Fe2Mo4Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Mo  2.1600  1.4500  0.7750
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4364]
_cell_length_b [3.8515]
_cell_length_c [6.1158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0732]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe(MoRh3)2]
_chemical_formula_sum '[Fe2 Mo4 Rh12]'
_cell_volume [256.0880]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.5000  1
  Mo  Mo1  4  0.0577  0.0000  0.8269  1
  Rh  Rh2  4  0.1055  0.5000  0.1681  1
  Rh  Rh3  4  0.1621  0.0000  0.5027  1
  Rh  Rh4  4  0.2165  0.5000  0.8329  1
]