data_[Al2Ga2Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5275]
_cell_length_b [3.1129]
_cell_length_c [7.4761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5915]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AlGaHg]
_chemical_formula_sum '[Al2 Ga2 Hg2]'
_cell_volume [125.0347]
_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  0.3273  0.2500  0.8748  1.0
  Ga  Ga1  2  0.1696  0.7500  0.1539  1.0
  Hg  Hg2  2  0.2665  0.7500  0.5471  1.0
]