data_[Ba10Pu2Bi10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pu  1.2800  1.7500  0.9675
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2531]
_cell_length_b [6.9680]
_cell_length_c [9.8328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6413]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba5PuBi5]
_chemical_formula_sum '[Ba10 Pu2 Bi10]'
_cell_volume [1055.1565]
_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
[
  Ba  Ba0  4  0.1736  0.5000  0.8465  1
  Ba  Ba1  4  0.1887  0.5000  0.3219  1
  Ba  Ba2  2  0.0000  0.0000  0.5000  1
  Pu  Pu3  2  0.0000  0.0000  0.0000  1
  Bi  Bi4  4  0.1440  0.0000  0.8435  1
  Bi  Bi5  4  0.1522  0.0000  0.3127  1
  Bi  Bi6  2  0.0000  0.5000  0.0000  1
]