data_[Cd6Sn2Hg14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  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 [10.6992]
_cell_length_b [11.4477]
_cell_length_c [5.7858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.5432]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd3SnHg7]
_chemical_formula_sum '[Cd6 Sn2 Hg14]'
_cell_volume [603.9450]
_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
[
  Cd  Cd0  4  0.0000  0.2330  0.0000  1.0
  Cd  Cd1  2  0.0000  0.0000  0.5000  1.0
  Sn  Sn2  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg3  8  0.1736  0.2294  0.6760  1.0
  Hg  Hg4  4  0.1700  0.0000  0.1826  1.0
  Hg  Hg5  2  0.0000  0.5000  0.0000  1.0
]