data_[Cs8K4Sc4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Sc  1.3600  1.6000  0.8850
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.3083]
_cell_length_b [17.6384]
_cell_length_c [7.6570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Cs2KScBi2]
_chemical_formula_sum '[Cs8 K4 Sc4 Bi8]'
_cell_volume [1122.0915]
_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  8  0.2466  0.1780  0.5000  1.0
  K  K1  4  0.0000  0.0000  0.2500  1.0
  Sc  Sc2  4  0.0000  0.5000  0.2500  1.0
  Bi  Bi3  8  0.1929  0.4062  0.5000  1.0
]