data_[Cs2In2Bi2Se6]
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
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3452]
_cell_length_b [4.8607]
_cell_length_c [10.5678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9880]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsInBiSe3]
_chemical_formula_sum '[Cs2 In2 Bi2 Se6]'
_cell_volume [456.5745]
_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  0.2071  0.7500  0.2315  1
  In  In1  2  0.1168  0.7500  0.6043  1
  Bi  Bi2  2  0.3361  0.2500  0.8756  1
  Se  Se3  2  0.1285  0.7500  0.8607  1
  Se  Se4  2  0.1977  0.2500  0.5342  1
  Se  Se5  2  0.4640  0.2500  0.1457  1
]