data_[Nd12Al4Hg2]
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 [P2_1/c]
_cell_length_a [5.9150]
_cell_length_b [9.1368]
_cell_length_c [11.2316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8811]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6Al2Hg]
_chemical_formula_sum '[Nd12 Al4 Hg2]'
_cell_volume [541.4177]
_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  0.1094  0.6683  0.0669  1
  Nd  Nd1  4  0.1206  0.0175  0.1947  1
  Nd  Nd2  4  0.4967  0.6622  0.4217  1
  Al  Al3  4  0.3176  0.1438  0.7545  1
  Hg  Hg4  2  0.5000  0.0000  0.5000  1
]