data_[Nd4Hg2Ge2]
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 [P2_1/m]
_cell_length_a [6.1980]
_cell_length_b [4.3756]
_cell_length_c [8.7040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0483]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd2HgGe]
_chemical_formula_sum '[Nd4 Hg2 Ge2]'
_cell_volume [223.1222]
_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  2  0.2198  0.2500  0.4382  1.0
  Nd  Nd1  2  0.3018  0.7500  0.0770  1.0
  Hg  Hg2  2  0.1233  0.2500  0.7922  1.0
  Ge  Ge3  2  0.3837  0.7500  0.7085  1.0
]