data_[Cu2Sn2Hg2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.6990]
_cell_length_b [10.6532]
_cell_length_c [8.4158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6337]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CuSnHgCl6]
_chemical_formula_sum '[Cu2 Sn2 Hg2 Cl12]'
_cell_volume [592.1308]
_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
[
  Cu  Cu0  2  0.0000  0.6707  0.5000  1.0
  Sn  Sn1  2  0.0000  0.3284  0.5000  1.0
  Hg  Hg2  2  0.0000  0.9485  0.0000  1.0
  Cl  Cl3  4  0.1496  0.5133  0.6692  1.0
  Cl  Cl4  4  0.1845  0.1858  0.6927  1.0
  Cl  Cl5  4  0.2032  0.8255  0.6497  1.0
]