data_[U3Fe9B2Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Fe  1.8300  1.4000  0.8525
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.3292]
_cell_length_b [5.3292]
_cell_length_c [8.4893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [U3Fe9B2Ir]
_chemical_formula_sum '[U3 Fe9 B2 Ir1]'
_cell_volume [208.8009]
_cell_formula_units_Z [1]
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
[
  U  U0  2  0.3333  0.6667  0.6684  1
  U  U1  1  0.0000  0.0000  0.0000  1
  Fe  Fe2  6  0.1650  0.3299  0.2769  1
  Fe  Fe3  3  0.0000  0.5000  0.0000  1
  B  B4  2  0.3333  0.6667  0.1401  1
  Ir  Ir5  1  0.0000  0.0000  0.5000  1
]