data_[Ho2Pu6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Pu  1.2800  1.7500  0.9675
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.8213]
_cell_length_b [4.8213]
_cell_length_c [9.6521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [HoPu3]
_chemical_formula_sum '[Ho2 Pu6]'
_cell_volume [224.3622]
_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
[
  Ho  Ho0  2  0.0000  0.0000  0.0000  1
  Pu  Pu1  4  0.0000  0.5000  0.2500  1
  Pu  Pu2  2  0.0000  0.0000  0.5000  1
]