data_[Cd6Ga2Sn2Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4470]
_cell_length_b [3.7949]
_cell_length_c [9.8930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2098]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cd3GaSnHg]
_chemical_formula_sum '[Cd6 Ga2 Sn2 Hg2]'
_cell_volume [286.9201]
_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  2  0.1621  0.2500  0.5248  1.0
  Cd  Cd1  2  0.1735  0.2500  0.0314  1.0
  Cd  Cd2  2  0.1925  0.7500  0.7818  1.0
  Ga  Ga3  2  0.4898  0.7500  0.1064  1.0
  Sn  Sn4  2  0.4924  0.2500  0.3602  1.0
  Hg  Hg5  2  0.1408  0.7500  0.2734  1.0
]