data_[Pu2Pa4As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Pa  1.5000  1.8000  1.0400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.8829]
_cell_length_b [10.7009]
_cell_length_c [7.0433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [PuPa2As3]
_chemical_formula_sum '[Pu2 Pa4 As6]'
_cell_volume [292.6591]
_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  0.1627  0.0020  1
  Pa  Pa1  2  0.0000  0.1404  0.4802  1
  Pa  Pa2  2  0.5000  0.4949  0.9910  1
  As  As3  2  0.0000  0.3735  0.7312  1
  As  As4  2  0.5000  0.0248  0.7436  1
  As  As5  2  0.5000  0.2902  0.2532  1
]