data_[Ho2Pu2Sb2]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.0224]
_cell_length_b [4.0224]
_cell_length_c [9.9774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [HoPuSb]
_chemical_formula_sum '[Ho2 Pu2 Sb2]'
_cell_volume [161.4292]
_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  0.6307  1
  Pu  Pu1  2  0.0000  0.0000  0.9406  1
  Sb  Sb2  2  0.0000  0.0000  0.2787  1
]