data_[Cs4Hg4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [15.4345]
_cell_length_b [4.9102]
_cell_length_c [8.0488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CsHgBi]
_chemical_formula_sum '[Cs4 Hg4 Bi4]'
_cell_volume [559.1561]
_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  0.0671  0.5000  0.9070  1.0
  Cs  Cs1  2  0.2382  0.0000  0.5753  1.0
  Hg  Hg2  2  0.2767  0.0000  0.1118  1.0
  Hg  Hg3  2  0.3746  0.5000  0.0009  1.0
  Bi  Bi4  2  0.0083  0.5000  0.3530  1.0
  Bi  Bi5  2  0.4229  0.5000  0.4616  1.0
]