data_[Y36Sn18Ru3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [13.1774]
_cell_length_b [13.1774]
_cell_length_c [12.2498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Y12Sn6Ru]
_chemical_formula_sum '[Y36 Sn18 Ru3]'
_cell_volume [1842.1438]
_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
[
  Y  Y0  18  0.0325  0.8330  0.3929  1
  Y  Y1  18  0.0577  0.8618  0.8835  1
  Sn  Sn2  18  0.0476  0.7680  0.6444  1
  Ru  Ru3  3  0.0000  0.0000  0.0000  1
]