data_[Nd4Hg6Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6265]
_cell_length_b [4.4675]
_cell_length_c [7.3763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Hg3Ge2]
_chemical_formula_sum '[Nd4 Hg6 Ge4]'
_cell_volume [347.0627]
_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  0.1197  0.5000  0.3233  1.0
  Hg  Hg1  4  0.1929  0.5000  0.8620  1.0
  Hg  Hg2  2  0.0000  0.0000  0.0000  1.0
  Ge  Ge3  4  0.0960  0.0000  0.6124  1.0
]