data_[Ho36Sn18Ru3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.0867]
_cell_length_b [13.0867]
_cell_length_c [12.1400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ho12Sn6Ru]
_chemical_formula_sum '[Ho36 Sn18 Ru3]'
_cell_volume [1800.5737]
_cell_formula_units_Z [3]
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  18  0.0323  0.8352  0.3924  1
  Ho  Ho1  18  0.0609  0.8652  0.8828  1
  Sn  Sn2  18  0.0472  0.7654  0.6425  1
  Ru  Ru3  3  0.0000  0.0000  0.0000  1
]