data_[Cd4In12Sn4Hg4]
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
  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 [18.5775]
_cell_length_b [5.9011]
_cell_length_c [6.2023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3069]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdIn3SnHg]
_chemical_formula_sum '[Cd4 In12 Sn4 Hg4]'
_cell_volume [664.3243]
_cell_formula_units_Z [4]
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  0.0274  0.0000  0.7584  1.0
  In  In1  4  0.0242  0.5000  0.2749  1.0
  In  In2  4  0.1390  0.0000  0.2581  1.0
  In  In3  4  0.1928  0.0000  0.7921  1.0
  Sn  Sn4  4  0.1447  0.5000  0.9860  1.0
  Hg  Hg5  4  0.1896  0.5000  0.5366  1.0
]