data_[Cr2Cd4Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1759]
_cell_length_b [3.2347]
_cell_length_c [5.1304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2334]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CrCd2Hg]
_chemical_formula_sum '[Cr2 Cd4 Hg2]'
_cell_volume [165.6393]
_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
[
  Cr  Cr0  2  0.0000  0.5000  0.0000  1
  Cd  Cd1  4  0.2420  0.0000  0.2379  1
  Hg  Hg2  2  0.0000  0.0000  0.5000  1
]