data_[Ho3Al1Si6Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.5515]
_cell_length_b [5.5515]
_cell_length_c [8.2542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ho3Al(Si3Ni)2]
_chemical_formula_sum '[Ho3 Al1 Si6 Ni2]'
_cell_volume [220.3048]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.5968  1
  Ho  Ho1  1  0.0000  0.0000  0.0000  1
  Al  Al2  1  0.0000  0.0000  0.5000  1
  Si  Si3  6  0.1860  0.8140  0.2721  1
  Ni  Ni4  2  0.3333  0.6667  0.0499  1
]