data_[Sr4Hg4I2O12]
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/m]
_cell_length_a [6.0471]
_cell_length_b [10.8451]
_cell_length_c [7.0599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5894]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Hg2IO6]
_chemical_formula_sum '[Sr4 Hg4 I2 O12]'
_cell_volume [459.9424]
_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  0.3341  0.5000  1
  Hg  Hg1  4  0.0000  0.2175  0.0000  1
  I  I2  2  0.0000  0.0000  0.5000  1
  O  O3  8  0.1065  0.1298  0.3450  1
  O  O4  4  0.2149  0.5000  0.3557  1
]