data_[Ho4Sc8Ni8]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5652]
_cell_length_b [12.8838]
_cell_length_c [8.5863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ho(ScNi)2]
_chemical_formula_sum '[Ho4 Sc8 Ni8]'
_cell_volume [394.3999]
_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  4  0.0000  0.4102  0.3403  1
  Sc  Sc1  4  0.0000  0.1132  0.1886  1
  Sc  Sc2  4  0.0000  0.3143  0.9741  1
  Ni  Ni3  4  0.0000  0.0471  0.5186  1
  Ni  Ni4  4  0.0000  0.2358  0.6829  1
]