data_[Ba2Li3Pu1As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Pu  1.2800  1.7500  0.9675
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.6803]
_cell_length_b [4.6803]
_cell_length_c [11.2983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ba2Li3PuAs4]
_chemical_formula_sum '[Ba2 Li3 Pu1 As4]'
_cell_volume [247.4917]
_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
[
  Ba  Ba0  2  0.0000  0.5000  0.7787  1
  Li  Li1  2  0.0000  0.5000  0.1127  1
  Li  Li2  1  0.0000  0.0000  0.5000  1
  Pu  Pu3  1  0.5000  0.5000  0.5000  1
  As  As4  2  0.0000  0.5000  0.3536  1
  As  As5  1  0.0000  0.0000  0.0000  1
  As  As6  1  0.5000  0.5000  0.0000  1
]