data_[Al3In21Hg36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [15.5272]
_cell_length_b [15.5272]
_cell_length_c [7.7141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [AlIn7Hg12]
_chemical_formula_sum '[Al3 In21 Hg36]'
_cell_volume [1610.6499]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  In  In1  18  0.0028  0.5957  0.5892  1
  In  In2  3  0.0000  0.0000  0.5000  1
  Hg  Hg3  18  0.0612  0.8208  0.5460  1
  Hg  Hg4  18  0.0811  0.9034  0.1772  1
]