data_[Nd12Hg4O2]
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 [6.7374]
_cell_length_b [7.2087]
_cell_length_c [12.5685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6Hg2O]
_chemical_formula_sum '[Nd12 Hg4 O2]'
_cell_volume [517.2357]
_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  0.1474  0.1918  0.4611  1.0
  Nd  Nd1  4  0.2800  0.7047  0.4615  1.0
  Nd  Nd2  4  0.3699  0.0058  0.2610  1.0
  Hg  Hg3  4  0.1820  0.0852  0.7518  1.0
  O  O4  2  0.5000  0.0000  0.5000  1.0
]