data_[Nd8Hg4O16]
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 [C2/m]
_cell_length_a [14.0261]
_cell_length_b [3.8437]
_cell_length_c [10.3551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0142]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2HgO4]
_chemical_formula_sum '[Nd8 Hg4 O16]'
_cell_volume [478.4547]
_cell_formula_units_Z [4]
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  0.1198  0.5000  0.4598  1.0
  Nd  Nd1  4  0.1587  0.0000  0.7984  1.0
  Hg  Hg2  4  0.1150  0.0000  0.1614  1.0
  O  O3  4  0.0365  0.0000  0.2789  1.0
  O  O4  4  0.0804  0.5000  0.6538  1.0
  O  O5  4  0.2040  0.0000  0.0580  1.0
  O  O6  4  0.2283  0.0000  0.6105  1.0
]