data_[Pu6Zr2P8]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.8455]
_cell_length_b [11.0671]
_cell_length_c [3.9185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pu3ZrP4]
_chemical_formula_sum '[Pu6 Zr2 P8]'
_cell_volume [340.2306]
_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  0.2500  0.2500  0.0000  1
  Pu  Pu1  2  0.0000  0.5000  0.5000  1
  Zr  Zr2  2  0.0000  0.0000  0.5000  1
  P  P3  4  0.0000  0.2428  0.5000  1
  P  P4  4  0.2408  0.0000  0.0000  1
]