data_[Nd8Ni2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1542]
_cell_length_b [6.8704]
_cell_length_c [8.4852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1176]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd4NiHg2]
_chemical_formula_sum '[Nd8 Ni2 Hg4]'
_cell_volume [391.6218]
_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  0.1386  0.0141  0.7926  1.0
  Nd  Nd1  2  0.3114  0.2500  0.4231  1.0
  Nd  Nd2  2  0.3371  0.7500  0.1737  1.0
  Ni  Ni3  2  0.0609  0.2500  0.0712  1.0
  Hg  Hg4  2  0.2171  0.7500  0.5034  1.0
  Hg  Hg5  2  0.4583  0.2500  0.1124  1.0
]