data_[Y20Hg4Ru4]
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/c]
_cell_length_a [9.4033]
_cell_length_b [7.3439]
_cell_length_c [11.8200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1641]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y5HgRu]
_chemical_formula_sum '[Y20 Hg4 Ru4]'
_cell_volume [783.9812]
_cell_formula_units_Z [4]
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  8  0.1210  0.3311  0.0629  1
  Y  Y1  8  0.2493  0.1675  0.6259  1
  Y  Y2  4  0.0000  0.0080  0.7500  1
  Hg  Hg3  4  0.0000  0.4190  0.7500  1
  Ru  Ru4  4  0.0000  0.0000  0.0000  1
]