data_[Nd2Ag2Hg12]
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 [Amm2]
_cell_length_a [5.0447]
_cell_length_b [7.1946]
_cell_length_c [11.0669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NdAgHg6]
_chemical_formula_sum '[Nd2 Ag2 Hg12]'
_cell_volume [401.6674]
_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  0.0000  0.0000  0.8839  1.0
  Ag  Ag1  2  0.5000  0.0000  0.6652  1.0
  Hg  Hg2  4  0.0000  0.2348  0.6303  1.0
  Hg  Hg3  4  0.5000  0.2182  0.3588  1.0
  Hg  Hg4  2  0.0000  0.0000  0.3879  1.0
  Hg  Hg5  2  0.5000  0.0000  0.0850  1.0
]