data_[Cd1In4Hg1Bi2]
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
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1760]
_cell_length_b [4.6946]
_cell_length_c [7.9672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7910]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CdIn4HgBi2]
_chemical_formula_sum '[Cd1 In4 Hg1 Bi2]'
_cell_volume [245.5953]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  In  In1  2  0.2420  0.0000  0.7436  1.0
  In  In2  2  0.2452  0.5000  0.2459  1.0
  Hg  Hg3  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi4  1  0.5000  0.0000  0.5000  1.0
  Bi  Bi5  1  0.5000  0.5000  0.0000  1.0
]