data_[Nd12Ag12Hg8]
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 [Cmcm]
_cell_length_a [4.7665]
_cell_length_b [11.2653]
_cell_length_c [15.4081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd3Ag3Hg2]
_chemical_formula_sum '[Nd12 Ag12 Hg8]'
_cell_volume [827.3526]
_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  0.0000  0.0854  0.6027  1.0
  Nd  Nd1  4  0.0000  0.3519  0.7500  1.0
  Ag  Ag2  8  0.0000  0.3927  0.5429  1.0
  Ag  Ag3  4  0.0000  0.3719  0.2500  1.0
  Hg  Hg4  8  0.0000  0.2110  0.1050  1.0
]