data_[Cs4Ba2In2Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.4007]
_cell_length_b [10.8552]
_cell_length_c [9.4251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Cs2BaInBi2]
_chemical_formula_sum '[Cs4 Ba2 In2 Bi4]'
_cell_volume [552.5493]
_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  2  0.0000  0.1653  0.8499  1.0
  Cs  Cs1  2  0.5000  0.0919  0.5208  1.0
  Ba  Ba2  2  0.0000  0.4640  0.4958  1.0
  In  In3  2  0.5000  0.3301  0.1541  1.0
  Bi  Bi4  2  0.0000  0.2038  0.2464  1.0
  Bi  Bi5  2  0.5000  0.4055  0.7786  1.0
]