data_[Y12Hg4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.5551]
_cell_length_b [11.6315]
_cell_length_c [6.5022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4719]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y3HgO]
_chemical_formula_sum '[Y12 Hg4 O4]'
_cell_volume [477.8017]
_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
[
  Y  Y0  8  0.2447  0.0353  0.5059  1.0
  Y  Y1  4  0.0000  0.2516  0.7500  1.0
  Hg  Hg2  4  0.0000  0.2538  0.2500  1.0
  O  O3  4  0.0000  0.0574  0.7500  1.0
]