data_[Pu1Sc1U2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Sc  1.3600  1.6000  0.8850
  U  1.3800  1.7500  0.9913
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9724]
_cell_length_b [4.0321]
_cell_length_c [7.0894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1380]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PuSc(UAs2)2]
_chemical_formula_sum '[Pu1 Sc1 U2 As4]'
_cell_volume [188.2957]
_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  0.0000  0.0000  0.0000  1
  Sc  Sc1  1  0.5000  0.5000  0.0000  1
  U  U2  1  0.0000  0.5000  0.5000  1
  U  U3  1  0.5000  0.0000  0.5000  1
  As  As4  2  0.2567  0.5000  0.2470  1
  As  As5  2  0.2594  0.0000  0.7573  1
]