data_[Cs2Cd1Hg6Bi1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6409]
_cell_length_b [8.0495]
_cell_length_c [8.2882]
_cell_angle_alpha [88.1992]
_cell_angle_beta [71.6523]
_cell_angle_gamma [68.2097]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs2CdHg6Bi]
_chemical_formula_sum '[Cs2 Cd1 Hg6 Bi1]'
_cell_volume [388.6439]
_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
[
  Cs  Cs0  2  0.4587  0.2784  0.8068  1.0
  Cd  Cd1  1  0.0000  0.5000  0.5000  1.0
  Hg  Hg2  2  0.0022  0.7297  0.7523  1.0
  Hg  Hg3  2  0.1280  0.0958  0.5858  1.0
  Hg  Hg4  2  0.4952  0.2432  0.2923  1.0
  Bi  Bi5  1  0.0000  0.0000  0.0000  1.0
]