data_[U3Sn3Ir3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.8557]
_cell_length_b [6.8557]
_cell_length_c [4.6970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [USnIr]
_chemical_formula_sum '[U3 Sn3 Ir3]'
_cell_volume [191.1872]
_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
[
  U  U0  3  0.0000  0.5131  0.5000  1
  Sn  Sn1  2  0.3333  0.6667  0.0000  1
  Sn  Sn2  1  0.0000  0.0000  0.5000  1
  Ir  Ir3  3  0.0000  0.2338  0.0000  1
]