data_[Pu4Tc4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Tc  1.9000  1.3500  0.7417
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9796]
_cell_length_b [4.3765]
_cell_length_c [7.2098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.0058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuTcIr]
_chemical_formula_sum '[Pu4 Tc4 Ir4]'
_cell_volume [230.2754]
_cell_formula_units_Z [4]
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
[
  Pu  Pu0  4  0.0612  0.0000  0.3184  1
  Tc  Tc1  4  0.1435  0.5000  0.0571  1
  Ir  Ir2  4  0.1703  0.5000  0.7174  1
]