data_[Sr8Al4Hg4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1079]
_cell_length_b [19.2464]
_cell_length_c [12.5219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2AlHgSe5]
_chemical_formula_sum '[Sr8 Al4 Hg4 Se20]'
_cell_volume [989.9999]
_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  0.0000  0.1038  0.6542  1
  Sr  Sr1  4  0.0000  0.1152  0.2957  1
  Al  Al2  4  0.0000  0.4270  0.4428  1
  Hg  Hg3  4  0.0000  0.2358  0.0384  1
  Se  Se4  4  0.0000  0.0518  0.0481  1
  Se  Se5  4  0.0000  0.2675  0.6918  1
  Se  Se6  4  0.0000  0.3030  0.3957  1
  Se  Se7  4  0.0000  0.3727  0.9797  1
  Se  Se8  4  0.0000  0.4875  0.2777  1
]