data_[Cs4Cd4Hg4]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7175]
_cell_length_b [8.5199]
_cell_length_c [9.4052]
_cell_angle_alpha [107.0140]
_cell_angle_beta [109.1114]
_cell_angle_gamma [101.1498]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsCdHg]
_chemical_formula_sum '[Cs4 Cd4 Hg4]'
_cell_volume [529.3617]
_cell_formula_units_Z [4]
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  0.1102  0.0846  0.8086  1.0
  Cs  Cs1  2  0.2728  0.5959  0.7525  1.0
  Cd  Cd2  2  0.1878  0.5690  0.1368  1.0
  Cd  Cd3  2  0.4968  0.1903  0.5384  1.0
  Hg  Hg4  2  0.2733  0.3566  0.3331  1.0
  Hg  Hg5  2  0.3880  0.9479  0.1808  1.0
]