data_[Sr10Hg2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [6.3339]
_cell_length_b [10.9443]
_cell_length_c [6.3217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6197]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr5HgO6]
_chemical_formula_sum '[Sr10 Hg2 O12]'
_cell_volume [412.7727]
_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
[
  Sr  Sr0  4  0.0000  0.1630  0.5000  1.0
  Sr  Sr1  4  0.0000  0.3327  0.0000  1.0
  Sr  Sr2  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg3  2  0.0000  0.0000  0.0000  1.0
  O  O4  8  0.2465  0.3308  0.7459  1.0
  O  O5  4  0.2449  0.5000  0.2550  1.0
]