data_[Pu2Zr6P8]
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 [P2/c]
_cell_length_a [6.5691]
_cell_length_b [7.5821]
_cell_length_c [6.5845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4573]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [PuZr3P4]
_chemical_formula_sum '[Pu2 Zr6 P8]'
_cell_volume [309.2255]
_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  2  0.0000  0.1273  0.7500  1
  Zr  Zr1  2  0.0000  0.3767  0.2500  1
  Zr  Zr2  2  0.5000  0.1293  0.2500  1
  Zr  Zr3  2  0.5000  0.3781  0.7500  1
  P  P4  4  0.2532  0.3780  0.0016  1
  P  P5  4  0.2553  0.1273  0.5008  1
]