data_[Cs2Hg2Bi6]
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 [Pm]
_cell_length_a [7.3653]
_cell_length_b [7.1507]
_cell_length_c [7.7651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0746]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CsHgBi3]
_chemical_formula_sum '[Cs2 Hg2 Bi6]'
_cell_volume [403.8465]
_cell_formula_units_Z [2]
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  1  0.5517  0.0000  0.4763  1.0
  Cs  Cs1  1  0.9501  0.5000  0.8643  1.0
  Hg  Hg2  1  0.0976  0.0000  0.7366  1.0
  Hg  Hg3  1  0.4501  0.5000  0.6616  1.0
  Bi  Bi4  2  0.0333  0.2723  0.3879  1.0
  Bi  Bi5  2  0.4682  0.2201  0.9566  1.0
  Bi  Bi6  1  0.3542  0.5000  0.2775  1.0
  Bi  Bi7  1  0.8499  0.0000  0.0587  1.0
]