data_[Nb4Ir12Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.5223]
_cell_length_b [13.5419]
_cell_length_c [4.9503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NbIr3Rh2]
_chemical_formula_sum '[Nb4 Ir12 Rh8]'
_cell_volume [370.1925]
_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
[
  Nb  Nb0  4  0.0000  0.3505  0.7500  1
  Ir  Ir1  8  0.2479  0.1807  0.7500  1
  Ir  Ir2  4  0.0000  0.1506  0.2500  1
  Rh  Rh3  8  0.2487  0.0000  0.0000  1
]