data_[Nb4Hg4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Hg  2.0000  1.5000  1.2450
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.9369]
_cell_length_b [3.0380]
_cell_length_c [6.7673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6890]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NbHgRu]
_chemical_formula_sum '[Nb4 Hg4 Ru4]'
_cell_volume [216.4710]
_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
[
  Nb  Nb0  2  0.1805  0.5000  0.9271  1
  Nb  Nb1  2  0.4718  0.5000  0.0279  1
  Hg  Hg2  2  0.0319  0.0000  0.5515  1
  Hg  Hg3  2  0.3142  0.0000  0.6474  1
  Ru  Ru4  2  0.1528  0.5000  0.2735  1
  Ru  Ru5  2  0.3537  0.0000  0.2295  1
]