data_[Gd8Hg4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  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 [13.8093]
_cell_length_b [3.7092]
_cell_length_c [10.2345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Gd2HgO4]
_chemical_formula_sum '[Gd8 Hg4 O16]'
_cell_volume [444.3335]
_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
[
  Gd  Gd0  4  0.1197  0.5000  0.4614  1.0
  Gd  Gd1  4  0.1594  0.0000  0.7994  1.0
  Hg  Hg2  4  0.1138  0.0000  0.1615  1.0
  O  O3  4  0.0352  0.0000  0.2812  1.0
  O  O4  4  0.0818  0.5000  0.6528  1.0
  O  O5  4  0.2032  0.0000  0.0558  1.0
  O  O6  4  0.2307  0.0000  0.6114  1.0
]