data_[Fe12Ir6Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9592]
_cell_length_b [4.2147]
_cell_length_c [9.1840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Fe6Ir3Rh]
_chemical_formula_sum '[Fe12 Ir6 Rh2]'
_cell_volume [252.8415]
_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  0.0016  0.2500  0.6683  1
  Fe  Fe1  2  0.0064  0.2500  0.1704  1
  Fe  Fe2  2  0.1974  0.7500  0.1289  1
  Fe  Fe3  2  0.1978  0.2500  0.4666  1
  Fe  Fe4  2  0.3964  0.2500  0.2642  1
  Fe  Fe5  2  0.3991  0.7500  0.9351  1
  Ir  Ir6  2  0.1903  0.7500  0.6301  1
  Ir  Ir7  2  0.1930  0.2500  0.9688  1
  Ir  Ir8  2  0.4078  0.2500  0.7725  1
  Rh  Rh9  2  0.3903  0.7500  0.4265  1
]