data_[Ho4Pu2Sc12]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3277]
_cell_length_b [3.3528]
_cell_length_c [8.2353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0952]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2PuSc6]
_chemical_formula_sum '[Ho4 Pu2 Sc12]'
_cell_volume [465.9977]
_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  4  0.0928  0.5000  0.3357  1
  Pu  Pu1  2  0.0000  0.0000  0.0000  1
  Sc  Sc2  4  0.0774  0.0000  0.6723  1
  Sc  Sc3  4  0.1677  0.5000  0.9971  1
  Sc  Sc4  4  0.2394  0.5000  0.6667  1
]