data_[Pu2Th1Sc1Bi4]
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
  Sc  1.3600  1.6000  0.8850
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7689]
_cell_length_b [4.5170]
_cell_length_c [7.8235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5045]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pu2ThScBi4]
_chemical_formula_sum '[Pu2 Th1 Sc1 Bi4]'
_cell_volume [258.7904]
_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
  Pu  Pu1  1  0.5000  0.5000  0.0000  1
  Th  Th2  1  0.5000  0.0000  0.5000  1
  Sc  Sc3  1  0.0000  0.5000  0.5000  1
  Bi  Bi4  2  0.2355  0.0000  0.7394  1
  Bi  Bi5  2  0.2393  0.5000  0.2528  1
]