data_[Nd6Ag8Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0297]
_cell_length_b [4.9193]
_cell_length_c [9.2538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1068]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(Ag2Hg)2]
_chemical_formula_sum '[Nd6 Ag8 Hg4]'
_cell_volume [438.6920]
_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  0.1658  0.5000  0.6678  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  4  0.0518  0.0000  0.3881  1.0
  Ag  Ag3  4  0.2273  0.5000  0.0575  1.0
  Hg  Hg4  4  0.1128  0.5000  0.2784  1.0
]