data_[La2Al2Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.6006]
_cell_length_b [6.6565]
_cell_length_c [6.4927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LaAlHg3]
_chemical_formula_sum '[La2 Al2 Hg6]'
_cell_volume [248.3407]
_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
[
  La  La0  2  0.0998  0.5000  0.2010  1.0
  Al  Al1  2  0.2246  0.0000  0.4449  1.0
  Hg  Hg2  4  0.0909  0.2521  0.6810  1.0
  Hg  Hg3  2  0.4967  0.5000  0.9981  1.0
]