data_[Ho1Pu1Ge1]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.8730]
_cell_length_b [4.8730]
_cell_length_c [3.6138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [HoPuGe]
_chemical_formula_sum '[Ho1 Pu1 Ge1]'
_cell_volume [74.3173]
_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
[
  Ho  Ho0  1  0.6667  0.3333  0.2631  1
  Pu  Pu1  1  0.3333  0.6667  0.7093  1
  Ge  Ge2  1  0.0000  0.0000  0.0276  1
]