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 [P1]
_cell_length_a [6.4632]
_cell_length_b [6.7212]
_cell_length_c [6.9270]
_cell_angle_alpha [61.6091]
_cell_angle_beta [76.9500]
_cell_angle_gamma [65.3344]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Y3HgO]
_chemical_formula_sum '[Y6 Hg2 O2]'
_cell_volume [240.4237]
_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  1  0.0182  0.2179  0.8118  1.0
  Y  Y1  1  0.4055  0.6360  0.2360  1.0
  Y  Y2  1  0.4709  0.7209  0.6890  1.0
  Y  Y3  1  0.4997  0.1666  0.1224  1.0
  Y  Y4  1  0.9298  0.6890  0.9138  1.0
  Y  Y5  1  0.9465  0.1379  0.3593  1.0
  Hg  Hg6  1  0.5181  0.1868  0.6780  1.0
  Hg  Hg7  1  0.8966  0.6802  0.3601  1.0
  O  O8  1  0.1091  0.9431  0.6843  1.0
  O  O9  1  0.7259  0.4233  0.0227  1.0
]