data_[La12Sn12Hg4]
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 [C2/m]
_cell_length_a [12.0243]
_cell_length_b [4.7813]
_cell_length_c [15.5939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3275]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3Sn3Hg]
_chemical_formula_sum '[La12 Sn12 Hg4]'
_cell_volume [851.0462]
_cell_formula_units_Z [4]
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  4  0.0211  0.5000  0.3786  1
  La  La1  4  0.1046  0.5000  0.9233  1
  La  La2  4  0.2307  0.5000  0.2271  1
  Sn  Sn3  4  0.0043  0.0000  0.2242  1
  Sn  Sn4  4  0.1181  0.0000  0.0755  1
  Sn  Sn5  4  0.1351  0.0000  0.5459  1
  Hg  Hg6  4  0.2252  0.0000  0.3835  1
]