data_[Sn2Hg6Te4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1031]
_cell_length_b [7.7840]
_cell_length_c [6.8568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SnHg3(TeCl3)2]
_chemical_formula_sum '[Sn2 Hg6 Te4 Cl12]'
_cell_volume [785.2463]
_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
[
  Sn  Sn0  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg1  4  0.2500  0.2500  0.0000  1.0
  Hg  Hg2  2  0.0000  0.5000  0.0000  1.0
  Te  Te3  4  0.1866  0.5000  0.1864  1.0
  Cl  Cl4  8  0.1020  0.2284  0.4724  1.0
  Cl  Cl5  4  0.0835  0.0000  0.8964  1.0
]