data_[Nd12Hg6O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6648]
_cell_length_b [8.2326]
_cell_length_c [11.9546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3687]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6Hg3O]
_chemical_formula_sum '[Nd12 Hg6 O2]'
_cell_volume [571.6361]
_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  0.0720  0.5520  0.7278  1.0
  Nd  Nd1  4  0.1815  0.2231  0.5627  1.0
  Nd  Nd2  4  0.3801  0.6442  0.5502  1.0
  Hg  Hg3  4  0.3224  0.6137  0.2339  1.0
  Hg  Hg4  2  0.5000  0.0000  0.5000  1.0
  O  O5  2  0.0000  0.0000  0.0000  1.0
]