data_[Nd6Zn4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0710]
_cell_length_b [4.8637]
_cell_length_c [9.0839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2103]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(ZnHg2)2]
_chemical_formula_sum '[Nd6 Zn4 Hg8]'
_cell_volume [442.5370]
_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  0.1622  0.5000  0.6667  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.1135  0.5000  0.2844  1.0
  Hg  Hg3  4  0.0678  0.0000  0.3907  1.0
  Hg  Hg4  4  0.2121  0.5000  0.0587  1.0
]