data_[La8Sn4Hg4Se20]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2746]
_cell_length_b [17.9825]
_cell_length_c [12.8743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2SnHgSe5]
_chemical_formula_sum '[La8 Sn4 Hg4 Se20]'
_cell_volume [989.6260]
_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  0.0000  0.1216  0.6881  1.0
  La  La1  4  0.0000  0.1323  0.3025  1.0
  Sn  Sn2  4  0.0000  0.1992  0.0031  1.0
  Hg  Hg3  4  0.0000  0.4677  0.4702  1.0
  Se  Se4  4  0.0000  0.0382  0.0892  1.0
  Se  Se5  4  0.0000  0.2920  0.6653  1.0
  Se  Se6  4  0.0000  0.3054  0.3329  1.0
  Se  Se7  4  0.0000  0.3574  0.9981  1.0
  Se  Se8  4  0.0000  0.4984  0.7745  1.0
]