data_[Pu4Mn2B4Ir10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Mn  1.5500  1.4000  0.6483
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.4833]
_cell_length_b [9.4833]
_cell_length_c [3.3094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Pu2MnB2Ir5]
_chemical_formula_sum '[Pu4 Mn2 B4 Ir10]'
_cell_volume [297.6188]
_cell_formula_units_Z [2]
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  0.1772  0.3228  0.0000  1
  Mn  Mn1  2  0.0000  0.0000  0.0000  1
  B  B2  4  0.1217  0.6217  0.0000  1
  Ir  Ir3  8  0.0692  0.7807  0.5000  1
  Ir  Ir4  2  0.0000  0.5000  0.5000  1
]