data_[Li2Sn2Hg2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.7816]
_cell_length_b [4.5961]
_cell_length_c [11.5811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6382]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiSnHgI3]
_chemical_formula_sum '[Li2 Sn2 Hg2 I6]'
_cell_volume [537.0493]
_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
[
  Li  Li0  2  0.0720  0.2500  0.6125  1.0
  Sn  Sn1  2  0.3290  0.7500  0.8637  1.0
  Hg  Hg2  2  0.2093  0.2500  0.2631  1.0
  I  I3  2  0.1261  0.2500  0.8651  1.0
  I  I4  2  0.1889  0.7500  0.5582  1.0
  I  I5  2  0.4618  0.7500  0.1523  1.0
]