data_[Sr4Hg4O8]
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 [Pnma]
_cell_length_a [13.0455]
_cell_length_b [3.8509]
_cell_length_c [6.1607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SrHgO2]
_chemical_formula_sum '[Sr4 Hg4 O8]'
_cell_volume [309.4895]
_cell_formula_units_Z [4]
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  0.1305  0.7500  0.4826  1
  Hg  Hg1  4  0.1147  0.2500  0.9786  1
  O  O2  4  0.0434  0.2500  0.6882  1
  O  O3  4  0.2037  0.2500  0.2476  1
]