data_[Pu2Ni2B2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8688]
_cell_length_b [3.8688]
_cell_length_c [7.8203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [PuNiBP]
_chemical_formula_sum '[Pu2 Ni2 B2 P2]'
_cell_volume [117.0502]
_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  0.5000  0.7973  1
  Ni  Ni1  2  0.0000  0.0000  0.5000  1
  B  B2  2  0.0000  0.5000  0.3980  1
  P  P3  2  0.0000  0.5000  0.1493  1
]