data_[Pu1Zr1Zn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.0244]
_cell_length_b [4.5460]
_cell_length_c [7.9458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [PuZrZn4]
_chemical_formula_sum '[Pu1 Zr1 Zn4]'
_cell_volume [109.2476]
_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  1  0.5000  0.0000  0.0000  1
  Zr  Zr1  1  0.5000  0.5000  0.5000  1
  Zn  Zn2  2  0.0000  0.0000  0.3423  1
  Zn  Zn3  2  0.0000  0.5000  0.1783  1
]