data_[Nd16Zn2Hg4]
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 [18.3584]
_cell_length_b [5.4531]
_cell_length_c [6.8027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2623]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8ZnHg2]
_chemical_formula_sum '[Nd16 Zn2 Hg4]'
_cell_volume [680.4886]
_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  0.0312  0.0000  0.7647  1
  Nd  Nd1  4  0.0918  0.5000  0.4063  1
  Nd  Nd2  4  0.1708  0.5000  0.9069  1
  Nd  Nd3  4  0.2096  0.0000  0.5875  1
  Zn  Zn4  2  0.0000  0.5000  0.0000  1
  Hg  Hg5  4  0.1528  0.0000  0.1424  1
]