data_[Y6Hg2O2]
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 [P-1]
_cell_length_a [6.4351]
_cell_length_b [6.6107]
_cell_length_c [7.1111]
_cell_angle_alpha [65.7667]
_cell_angle_beta [84.2133]
_cell_angle_gamma [69.2640]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Y3HgO]
_chemical_formula_sum '[Y6 Hg2 O2]'
_cell_volume [257.6330]
_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
[
  Y  Y0  2  0.1961  0.1814  0.0884  1
  Y  Y1  2  0.2538  0.0312  0.6398  1
  Y  Y2  2  0.3224  0.5674  0.2474  1
  Hg  Hg3  2  0.1787  0.5631  0.6706  1
  O  O4  2  0.3869  0.1926  0.3228  1
]