data_[Nd36Co6Hg18]
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-3c]
_cell_length_a [12.3921]
_cell_length_b [12.3921]
_cell_length_c [13.8851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Nd6CoHg3]
_chemical_formula_sum '[Nd36 Co6 Hg18]'
_cell_volume [1846.5741]
_cell_formula_units_Z [6]
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  36  0.0402  0.1911  0.8818  1.0
  Co  Co1  6  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  18  0.0000  0.6026  0.2500  1.0
]