data_[La12Si2Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.4329]
_cell_length_b [7.6996]
_cell_length_c [16.5958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La6SiHg5]
_chemical_formula_sum '[La12 Si2 Hg10]'
_cell_volume [694.2177]
_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  8  0.0000  0.2354  0.1565  1
  La  La1  4  0.0000  0.2727  0.5000  1
  Si  Si2  2  0.0000  0.0000  0.0000  1
  Hg  Hg3  4  0.0000  0.0000  0.3324  1
  Hg  Hg4  4  0.0000  0.5000  0.3128  1
  Hg  Hg5  2  0.0000  0.5000  0.0000  1
]