data_[Cd2Sn4Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  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 [4.4545]
_cell_length_b [4.3935]
_cell_length_c [10.9984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3972]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CdSn2Hg]
_chemical_formula_sum '[Cd2 Sn4 Hg2]'
_cell_volume [212.9389]
_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  0.0003  0.2500  0.3919  1
  Sn  Sn1  2  0.1452  0.7500  0.1271  1
  Sn  Sn2  2  0.3514  0.7500  0.8646  1
  Hg  Hg3  2  0.4967  0.7500  0.3865  1
]