data_[Pu2Zr1Ti1P4]
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
  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 [6.5691]
_cell_length_b [3.8110]
_cell_length_c [6.5962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4114]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pu2ZrTiP4]
_chemical_formula_sum '[Pu2 Zr1 Ti1 P4]'
_cell_volume [155.7461]
_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
  Zr  Zr2  1  0.0000  0.0000  0.0000  1
  Ti  Ti3  1  0.0000  0.5000  0.5000  1
  P  P4  2  0.2268  0.0000  0.7351  1
  P  P5  2  0.2322  0.5000  0.2530  1
]