data_[Pu4Ni3As8]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.9822]
_cell_length_b [3.9822]
_cell_length_c [18.3144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Pu4Ni3As8]
_chemical_formula_sum '[Pu4 Ni3 As8]'
_cell_volume [290.4279]
_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  2  0.0000  0.5000  0.1171  1
  Pu  Pu1  2  0.0000  0.5000  0.6321  1
  Ni  Ni2  1  0.0000  0.0000  0.0000  1
  Ni  Ni3  1  0.0000  0.0000  0.5000  1
  Ni  Ni4  1  0.5000  0.5000  0.5000  1
  As  As5  2  0.0000  0.0000  0.2430  1
  As  As6  2  0.0000  0.5000  0.4256  1
  As  As7  2  0.0000  0.5000  0.9318  1
  As  As8  2  0.5000  0.5000  0.2430  1
]