data_[Nd12Zn2Hg6]
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 [P2_1/m]
_cell_length_a [9.3592]
_cell_length_b [5.3963]
_cell_length_c [11.9437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5737]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd6ZnHg3]
_chemical_formula_sum '[Nd12 Zn2 Hg6]'
_cell_volume [575.0680]
_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  2  0.1017  0.7500  0.8723  1
  Nd  Nd1  2  0.1288  0.7500  0.1520  1
  Nd  Nd2  2  0.1404  0.2500  0.6718  1
  Nd  Nd3  2  0.2425  0.7500  0.4989  1
  Nd  Nd4  2  0.3394  0.2500  0.3242  1
  Nd  Nd5  2  0.4812  0.7500  0.0955  1
  Zn  Zn6  2  0.0463  0.2500  0.3972  1
  Hg  Hg7  2  0.2285  0.2500  0.0284  1
  Hg  Hg8  2  0.3795  0.7500  0.7786  1
  Hg  Hg9  2  0.4706  0.2500  0.6217  1
]