data_[B8Ir2Rh10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  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 [15.5070]
_cell_length_b [2.8565]
_cell_length_c [5.6712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [B4IrRh5]
_chemical_formula_sum '[B8 Ir2 Rh10]'
_cell_volume [234.3471]
_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
[
  B  B0  4  0.0668  0.0000  0.8157  1
  B  B1  4  0.1265  0.5000  0.3744  1
  Ir  Ir2  2  0.0000  0.5000  0.5000  1
  Rh  Rh3  4  0.1702  0.0000  0.1666  1
  Rh  Rh4  4  0.1707  0.0000  0.6697  1
  Rh  Rh5  2  0.0000  0.5000  0.0000  1
]