data_[Al2Hg10]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.1039]
_cell_length_b [3.2670]
_cell_length_c [7.3454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6068]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AlHg5]
_chemical_formula_sum '[Al2 Hg10]'
_cell_volume [313.4367]
_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  0.4735  0.5000  0.9134  1.0
  Hg  Hg1  2  0.0435  0.0000  0.5719  1.0
  Hg  Hg2  2  0.1638  0.5000  0.9888  1.0
  Hg  Hg3  2  0.2371  0.5000  0.3838  1.0
  Hg  Hg4  2  0.3075  0.0000  0.7413  1.0
  Hg  Hg5  2  0.4413  0.0000  0.2342  1.0
]