data_[La1Sn2Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.3756]
_cell_length_b [5.3756]
_cell_length_c [9.5217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [La(SnHg3)2]
_chemical_formula_sum '[La1 Sn2 Hg6]'
_cell_volume [238.2912]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Sn  Sn1  2  0.3333  0.6667  0.6852  1
  Hg  Hg2  2  0.0000  0.0000  0.1576  1
  Hg  Hg3  2  0.3333  0.6667  0.3476  1
  Hg  Hg4  2  0.3333  0.6667  0.0143  1
]