data_[Sr2Hg2I2O12]
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
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.7633]
_cell_length_b [9.5632]
_cell_length_c [5.2313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [SrHgIO6]
_chemical_formula_sum '[Sr2 Hg2 I2 O12]'
_cell_volume [288.2367]
_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  2  0.0000  0.0036  0.0000  1.0
  Hg  Hg1  2  0.0000  0.3342  0.5000  1.0
  I  I2  2  0.0000  0.6712  0.5000  1.0
  O  O3  4  0.1206  0.5239  0.7186  1.0
  O  O4  4  0.1333  0.8028  0.7234  1.0
  O  O5  4  0.2187  0.1686  0.6939  1.0
]