data_[Pu1Th1U2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Th  1.3000  1.8000  1.0800
  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 [7.0960]
_cell_length_b [4.1092]
_cell_length_c [7.3046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0255]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PuTh(UAs2)2]
_chemical_formula_sum '[Pu1 Th1 U2 As4]'
_cell_volume [201.3609]
_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  0.5000  0.0000  1
  Th  Th1  1  0.0000  0.0000  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  0.2513  0.0000  0.7431  1
  As  As5  2  0.2566  0.5000  0.2600  1
]