data_[Cs2In1Hg6Bi1]
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 [P-1]
_cell_length_a [6.5747]
_cell_length_b [8.0742]
_cell_length_c [8.5681]
_cell_angle_alpha [83.8930]
_cell_angle_beta [69.5496]
_cell_angle_gamma [66.6228]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs2InHg6Bi]
_chemical_formula_sum '[Cs2 In1 Hg6 Bi1]'
_cell_volume [390.9154]
_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  0.4560  0.7754  0.3065  1.0
  In  In1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.0135  0.7679  0.7366  1.0
  Hg  Hg3  2  0.1104  0.5999  0.0963  1.0
  Hg  Hg4  2  0.4989  0.7365  0.7898  1.0
  Bi  Bi5  1  0.0000  0.5000  0.5000  1.0
]