data_[Pu4Ge4H2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ge  2.0100  1.2500  0.7700
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7706]
_cell_length_b [4.2538]
_cell_length_c [6.7638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.0989]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2Ge2HIr2]
_chemical_formula_sum '[Pu4 Ge4 H2 Ir4]'
_cell_volume [243.8673]
_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  0.0567  0.5000  0.2790  1
  Ge  Ge1  4  0.1536  0.0000  0.6933  1
  Ir  Ir2  4  0.2062  0.0000  0.1119  1
  H  H3  2  0.0000  0.0000  0.0000  1
]