data_[Cs3Cd4Hg4]
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 [5.2846]
_cell_length_b [5.7417]
_cell_length_c [14.8009]
_cell_angle_alpha [80.7311]
_cell_angle_beta [81.6430]
_cell_angle_gamma [87.7542]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs3(CdHg)4]
_chemical_formula_sum '[Cs3 Cd4 Hg4]'
_cell_volume [438.4682]
_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  0.3436  0.8535  0.3035  1.0
  Cs  Cs1  1  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  2  0.2128  0.7022  0.5903  1.0
  Cd  Cd3  2  0.4416  0.4568  0.1021  1.0
  Hg  Hg4  2  0.0957  0.5933  0.7972  1.0
  Hg  Hg5  2  0.2506  0.2367  0.5041  1.0
]