data_[Pu2Np1Ti1P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Np  1.3600  1.7500  1.0000
  Ti  1.5400  1.4000  0.8517
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6483]
_cell_length_b [3.8750]
_cell_length_c [6.6835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2997]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pu2NpTiP4]
_chemical_formula_sum '[Pu2 Np1 Ti1 P4]'
_cell_volume [162.5037]
_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  0.5000  1
  Pu  Pu1  1  0.5000  0.5000  0.0000  1
  Np  Np2  1  0.0000  0.5000  0.5000  1
  Ti  Ti3  1  0.0000  0.0000  0.0000  1
  P  P4  2  0.2302  0.5000  0.2302  1
  P  P5  2  0.2374  0.0000  0.7614  1
]