data_[Nd4Ag2Hg3]
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 [P-3m1]
_cell_length_a [5.2513]
_cell_length_b [5.2513]
_cell_length_c [10.0032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Nd4Ag2Hg3]
_chemical_formula_sum '[Nd4 Ag2 Hg3]'
_cell_volume [238.8899]
_cell_formula_units_Z [1]
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  0.3359  1
  Nd  Nd1  2  0.3333  0.6667  0.1136  1
  Ag  Ag2  2  0.3333  0.6667  0.7964  1
  Hg  Hg3  2  0.3333  0.6667  0.4685  1
  Hg  Hg4  1  0.0000  0.0000  0.0000  1
]