data_[Y16Hg4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7642]
_cell_length_b [5.2780]
_cell_length_c [6.9196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2440]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y8Hg2Ru]
_chemical_formula_sum '[Y16 Hg4 Ru2]'
_cell_volume [616.1687]
_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
[
  Y  Y0  4  0.0239  0.0000  0.7890  1.0
  Y  Y1  4  0.0893  0.5000  0.4275  1.0
  Y  Y2  4  0.1545  0.5000  0.9613  1.0
  Y  Y3  4  0.1983  0.0000  0.3012  1.0
  Hg  Hg4  4  0.1844  0.0000  0.7167  1.0
  Ru  Ru5  2  0.0000  0.5000  0.0000  1.0
]