data_[Cs2Ba2Bi1Sb1]
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
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.9680]
_cell_length_b [5.9680]
_cell_length_c [9.1137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Cs2Ba2BiSb]
_chemical_formula_sum '[Cs2 Ba2 Bi1 Sb1]'
_cell_volume [324.6039]
_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  1  0.0000  0.0000  0.3712  1
  Cs  Cs1  1  0.5000  0.5000  0.6250  1
  Ba  Ba2  2  0.0000  0.5000  0.0039  1
  Bi  Bi3  1  0.0000  0.0000  0.7913  1
  Sb  Sb4  1  0.5000  0.5000  0.2047  1
]