data_[Nd6Hg4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.4210]
_cell_length_b [16.7288]
_cell_length_c [3.6226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Nd3Hg2Ru]
_chemical_formula_sum '[Nd6 Hg4 Ru2]'
_cell_volume [328.5261]
_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
[
  Nd  Nd0  4  0.0000  0.1367  0.0000  1.0
  Nd  Nd1  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg2  4  0.0000  0.3051  0.5000  1.0
  Ru  Ru3  2  0.0000  0.0000  0.5000  1.0
]