data_[Nd12Ag4Hg12]
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 [10.5014]
_cell_length_b [10.2324]
_cell_length_c [7.3702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3AgHg3]
_chemical_formula_sum '[Nd12 Ag4 Hg12]'
_cell_volume [791.8509]
_cell_formula_units_Z [4]
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  8  0.2455  0.1930  0.2476  1
  Nd  Nd1  4  0.0778  0.0000  0.7638  1
  Ag  Ag2  4  0.1419  0.5000  0.0488  1
  Hg  Hg3  4  0.0000  0.2406  0.5000  1
  Hg  Hg4  4  0.0000  0.2556  0.0000  1
  Hg  Hg5  4  0.1493  0.5000  0.4355  1
]