data_[Cd2In4Sn2Hg4]
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 [Pmc2_1]
_cell_length_a [4.5714]
_cell_length_b [10.2346]
_cell_length_c [6.7341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [CdIn2SnHg2]
_chemical_formula_sum '[Cd2 In4 Sn2 Hg4]'
_cell_volume [315.0607]
_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  0.5000  0.3241  0.6492  1.0
  In  In1  2  0.0000  0.1832  0.3661  1.0
  In  In2  2  0.5000  0.0070  0.1089  1.0
  Sn  Sn3  2  0.0000  0.4779  0.9025  1.0
  Hg  Hg4  2  0.0000  0.1533  0.8624  1.0
  Hg  Hg5  2  0.5000  0.3400  0.1564  1.0
]