data_[U2Ti1Ir9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Ti  1.5400  1.4000  0.8517
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9961]
_cell_length_b [3.9961]
_cell_length_c [11.9630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [U2TiIr9]
_chemical_formula_sum '[U2 Ti1 Ir9]'
_cell_volume [191.0377]
_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  0.0000  0.0000  0.3283  1
  Ti  Ti1  1  0.0000  0.0000  0.0000  1
  Ir  Ir2  4  0.0000  0.5000  0.1588  1
  Ir  Ir3  2  0.0000  0.5000  0.5000  1
  Ir  Ir4  2  0.5000  0.5000  0.3294  1
  Ir  Ir5  1  0.5000  0.5000  0.0000  1
]