data_[Cd2In2Sn4Hg2]
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 [P2_1/m]
_cell_length_a [7.0893]
_cell_length_b [3.3308]
_cell_length_c [11.6344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7563]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CdInSn2Hg]
_chemical_formula_sum '[Cd2 In2 Sn4 Hg2]'
_cell_volume [270.7523]
_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  0.1875  0.2500  0.0130  1.0
  In  In1  2  0.1717  0.2500  0.5855  1.0
  Sn  Sn2  2  0.4001  0.2500  0.3728  1.0
  Sn  Sn3  2  0.4701  0.2500  0.8424  1.0
  Hg  Hg4  2  0.0060  0.7500  0.7757  1.0
]