data_[Nd6Hg2Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8032]
_cell_length_b [6.7145]
_cell_length_c [8.5696]
_cell_angle_alpha [99.6397]
_cell_angle_beta [102.2725]
_cell_angle_gamma [112.2325]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nd3HgPt]
_chemical_formula_sum '[Nd6 Hg2 Pt2]'
_cell_volume [290.4696]
_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  0.1857  0.0390  0.2439  1.0
  Nd  Nd1  2  0.1983  0.6800  0.8836  1.0
  Nd  Nd2  2  0.4417  0.3077  0.6829  1.0
  Hg  Hg3  2  0.1503  0.7486  0.5160  1.0
  Pt  Pt4  2  0.2717  0.3088  0.0078  1.0
]