data_[Al2Hg2Se4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3891]
_cell_length_b [5.3643]
_cell_length_c [7.9944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlHg(SeO4)2]
_chemical_formula_sum '[Al2 Hg2 Se4 O16]'
_cell_volume [359.7551]
_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
[
  Al  Al0  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg1  2  0.0000  0.0000  0.5000  1.0
  Se  Se2  4  0.1449  0.5000  0.8033  1.0
  O  O3  8  0.0261  0.2475  0.8264  1.0
  O  O4  4  0.2130  0.5000  0.6093  1.0
  O  O5  4  0.2208  0.0000  0.0414  1.0
]