data_[Pu2Cu1Ge4Ir3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2484]
_cell_length_b [4.2484]
_cell_length_c [10.1321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Pu2CuGe4Ir3]
_chemical_formula_sum '[Pu2 Cu1 Ge4 Ir3]'
_cell_volume [182.8700]
_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
[
  Pu  Pu0  2  0.0000  0.5000  0.7517  1
  Cu  Cu1  1  0.5000  0.5000  0.5000  1
  Ge  Ge2  2  0.0000  0.5000  0.3699  1
  Ge  Ge3  1  0.0000  0.0000  0.0000  1
  Ge  Ge4  1  0.5000  0.5000  0.0000  1
  Ir  Ir5  2  0.0000  0.5000  0.1295  1
  Ir  Ir6  1  0.0000  0.0000  0.5000  1
]