data_[Ho16Al4Ru2]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2406]
_cell_length_b [5.2327]
_cell_length_c [6.8441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1972]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho8Al2Ru]
_chemical_formula_sum '[Ho16 Al4 Ru2]'
_cell_volume [575.6672]
_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  0.0144  0.0000  0.7772  1.0
  Ho  Ho1  4  0.0988  0.5000  0.4199  1.0
  Ho  Ho2  4  0.1498  0.5000  0.9343  1.0
  Ho  Ho3  4  0.1989  0.0000  0.2713  1.0
  Al  Al4  4  0.1800  0.0000  0.6932  1.0
  Ru  Ru5  2  0.0000  0.5000  0.0000  1.0
]