data_[Ho4Hf2Sc16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Hf  1.3000  1.5500  0.8500
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3149]
_cell_length_b [14.9198]
_cell_length_c [5.3374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8272]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2HfSc8]
_chemical_formula_sum '[Ho4 Hf2 Sc16]'
_cell_volume [562.5783]
_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  0.0000  0.3066  0.0000  1
  Hf  Hf1  2  0.0000  0.0000  0.5000  1
  Sc  Sc2  8  0.2085  0.8886  0.1691  1
  Sc  Sc3  4  0.0000  0.2015  0.5000  1
  Sc  Sc4  4  0.0785  0.5000  0.2983  1
]