data_[Nd36Co3Hg18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Co  1.8800  1.3500  0.7683
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.4137]
_cell_length_b [12.4137]
_cell_length_c [13.4180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd12CoHg6]
_chemical_formula_sum '[Nd36 Co3 Hg18]'
_cell_volume [1790.7036]
_cell_formula_units_Z [3]
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  18  0.0346  0.1867  0.3879  1.0
  Nd  Nd1  18  0.0391  0.8492  0.8796  1.0
  Co  Co2  3  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  18  0.0056  0.3995  0.2551  1.0
]