data_[Nd14Hg4Ru4]
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 [Imm2]
_cell_length_a [3.9402]
_cell_length_b [16.4700]
_cell_length_c [9.8766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Nd7(HgRu)2]
_chemical_formula_sum '[Nd14 Hg4 Ru4]'
_cell_volume [640.9377]
_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  0.1511  0.2601  1
  Nd  Nd1  4  0.0000  0.1801  0.9043  1
  Nd  Nd2  4  0.0000  0.3689  0.1025  1
  Nd  Nd3  2  0.0000  0.5000  0.5265  1
  Hg  Hg4  2  0.0000  0.0000  0.7585  1
  Hg  Hg5  2  0.0000  0.5000  0.8525  1
  Ru  Ru6  4  0.0000  0.2584  0.5913  1
]