data_[Nd4Al2Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.9147]
_cell_length_b [6.7612]
_cell_length_c [11.7242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Nd2AlHg5]
_chemical_formula_sum '[Nd4 Al2 Hg10]'
_cell_volume [389.5898]
_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  0.0000  0.0000  0.3340  1
  Nd  Nd1  2  0.5000  0.0000  0.6677  1
  Al  Al2  2  0.0000  0.0000  0.8511  1
  Hg  Hg3  4  0.0000  0.2448  0.0789  1
  Hg  Hg4  4  0.5000  0.2343  0.9136  1
  Hg  Hg5  2  0.5000  0.0000  0.1623  1
]