data_[Nd12Hg4Ru2]
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 [P2_1/c]
_cell_length_a [7.1941]
_cell_length_b [7.5362]
_cell_length_c [12.7326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.7812]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6Hg2Ru]
_chemical_formula_sum '[Nd12 Hg4 Ru2]'
_cell_volume [573.7639]
_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  0.1383  0.1960  0.4503  1.0
  Nd  Nd1  4  0.2546  0.6902  0.4478  1.0
  Nd  Nd2  4  0.3585  0.0064  0.2481  1.0
  Hg  Hg3  4  0.2092  0.0897  0.7457  1.0
  Ru  Ru4  2  0.5000  0.0000  0.5000  1.0
]