data_[Nd8Ag4Hg8]
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 [11.1642]
_cell_length_b [4.8034]
_cell_length_c [10.8856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3964]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2AgHg2]
_chemical_formula_sum '[Nd8 Ag4 Hg8]'
_cell_volume [539.7226]
_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  0.0263  0.0000  0.3446  1.0
  Nd  Nd1  4  0.1789  0.0000  0.1040  1.0
  Ag  Ag2  4  0.2217  0.5000  0.3283  1.0
  Hg  Hg3  4  0.0361  0.5000  0.8795  1.0
  Hg  Hg4  4  0.1416  0.5000  0.5789  1.0
]