data_[Al2Si4Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.3660]
_cell_length_b [10.0483]
_cell_length_c [3.7625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.4525]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlSi2Hg]
_chemical_formula_sum '[Al2 Si4 Hg2]'
_cell_volume [147.2745]
_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  0.5000  0.5000  1
  Si  Si1  4  0.2500  0.2500  0.0000  1
  Hg  Hg2  2  0.0000  0.0000  0.5000  1
]