data_[Nd8Ag8Hg4]
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 [11.2760]
_cell_length_b [4.7485]
_cell_length_c [10.5959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7266]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Ag2Hg]
_chemical_formula_sum '[Nd8 Ag8 Hg4]'
_cell_volume [523.3048]
_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  4  0.0258  0.0000  0.3442  1.0
  Nd  Nd1  4  0.1820  0.0000  0.0987  1.0
  Ag  Ag2  4  0.0339  0.5000  0.8837  1.0
  Ag  Ag3  4  0.1330  0.5000  0.5736  1.0
  Hg  Hg4  4  0.2255  0.5000  0.3265  1.0
]