data_[Cs4In4Hg12Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.5623]
_cell_length_b [14.0472]
_cell_length_c [7.9216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsInHg3Bi]
_chemical_formula_sum '[Cs4 In4 Hg12 Bi4]'
_cell_volume [952.7870]
_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  4  0.0000  0.2868  0.7500  1
  In  In1  4  0.0000  0.0121  0.7500  1
  Hg  Hg2  8  0.2349  0.5000  0.0000  1
  Hg  Hg3  4  0.0000  0.1927  0.2500  1
  Bi  Bi4  4  0.0000  0.4059  0.2500  1
]