data_[Nd4Si2Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1560]
_cell_length_b [4.2781]
_cell_length_c [8.7098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6717]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd2SiHg]
_chemical_formula_sum '[Nd4 Si2 Hg2]'
_cell_volume [217.3106]
_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  0.2229  0.2500  0.4362  1.0
  Nd  Nd1  2  0.3006  0.7500  0.0780  1.0
  Si  Si2  2  0.3768  0.7500  0.7104  1.0
  Hg  Hg3  2  0.1311  0.2500  0.7891  1.0
]