data_[Cd4In12Ga2Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.2775]
_cell_length_b [7.1242]
_cell_length_c [11.0828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7683]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cd2In6GaHg]
_chemical_formula_sum '[Cd4 In12 Ga2 Hg2]'
_cell_volume [536.8792]
_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  0.3655  0.0983  0.3607  1
  In  In1  4  0.0121  0.1471  0.7649  1
  In  In2  4  0.1938  0.6387  0.5594  1
  In  In3  4  0.3644  0.1878  0.6332  1
  Ga  Ga4  2  0.0000  0.0000  0.5000  1
  Hg  Hg5  2  0.5000  0.0000  0.0000  1
]