data_[Cs2In4Hg1Bi3]
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-4m2]
_cell_length_a [5.2581]
_cell_length_b [5.2581]
_cell_length_c [13.8373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Cs2In4HgBi3]
_chemical_formula_sum '[Cs2 In4 Hg1 Bi3]'
_cell_volume [382.5690]
_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  0.0000  0.5000  0.7464  1.0
  In  In1  2  0.0000  0.5000  0.3776  1.0
  In  In2  1  0.0000  0.0000  0.0000  1.0
  In  In3  1  0.5000  0.5000  0.0000  1.0
  Hg  Hg4  1  0.5000  0.5000  0.5000  1.0
  Bi  Bi5  2  0.0000  0.5000  0.1231  1.0
  Bi  Bi6  1  0.0000  0.0000  0.5000  1.0
]