data_[Ho6Sc6Ni6]
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 [P6_222]
_cell_length_a [6.3475]
_cell_length_b [6.3475]
_cell_length_c [11.3287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [180]
_chemical_formula_structural [HoScNi]
_chemical_formula_sum '[Ho6 Sc6 Ni6]'
_cell_volume [395.2906]
_cell_formula_units_Z [6]
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  3  0.0000  0.0000  0.0000  1
  Ho  Ho1  3  0.0000  0.5000  0.1667  1
  Sc  Sc2  6  0.0000  0.5000  0.4611  1
  Ni  Ni3  6  0.2248  0.6124  0.6667  1
]