data_[Bi16Ir4Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8591]
_cell_length_b [8.3560]
_cell_length_c [5.3010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0976]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Bi8Ir2Rh]
_chemical_formula_sum '[Bi16 Ir4 Rh2]'
_cell_volume [657.7448]
_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
[
  Bi  Bi0  8  0.0726  0.2641  0.7489  1
  Bi  Bi1  4  0.1407  0.5000  0.2140  1
  Bi  Bi2  4  0.1620  0.0000  0.2684  1
  Ir  Ir3  4  0.1800  0.0000  0.7703  1
  Rh  Rh4  2  0.0000  0.0000  0.0000  1
]