data_[Bi6Ir9Os9]
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
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9945]
_cell_length_b [4.9945]
_cell_length_c [21.3199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Bi2(IrOs)3]
_chemical_formula_sum '[Bi6 Ir9 Os9]'
_cell_volume [460.5690]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.2070  1
  Os  Os1  9  0.0000  0.5000  0.0000  1
  Ir  Ir2  6  0.0000  0.0000  0.0620  1
  Ir  Ir3  3  -0.0000  -0.0000  0.5000  1
]