data_[Nd8Ag2Hg10]
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 [16.2953]
_cell_length_b [5.2665]
_cell_length_c [6.5058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5940]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4AgHg5]
_chemical_formula_sum '[Nd8 Ag2 Hg10]'
_cell_volume [540.3123]
_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  4  0.0942  0.0000  0.8369  1
  Nd  Nd1  4  0.1866  0.5000  0.3213  1
  Ag  Ag2  2  0.0000  0.5000  0.0000  1
  Hg  Hg3  4  0.1000  0.0000  0.3545  1
  Hg  Hg4  4  0.2152  0.5000  0.8375  1
  Hg  Hg5  2  0.0000  0.5000  0.5000  1
]