data_[Ho8Sc12Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.2312]
_cell_length_b [16.8125]
_cell_length_c [7.2560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ho2Sc3Pd4]
_chemical_formula_sum '[Ho8 Sc12 Pd16]'
_cell_volume [760.1506]
_cell_formula_units_Z [4]
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  8  0.0000  0.0970  0.5882  1.0
  Sc  Sc1  8  0.2500  0.2326  0.2500  1.0
  Sc  Sc2  4  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  8  0.0000  0.1676  0.9664  1.0
  Pd  Pd4  8  0.2500  0.0683  0.2500  1.0
]