data_[Cs2Ba2Sb2Se8]
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
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6505]
_cell_length_b [7.4781]
_cell_length_c [10.0916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsBaSbSe4]
_chemical_formula_sum '[Cs2 Ba2 Sb2 Se8]'
_cell_volume [552.7409]
_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  0.2629  0.7500  0.0633  1.0
  Ba  Ba1  2  0.2394  0.7500  0.5534  1.0
  Sb  Sb2  2  0.2064  0.2500  0.3152  1.0
  Se  Se3  4  0.0054  0.0136  0.7262  1.0
  Se  Se4  2  0.3893  0.2500  0.5658  1.0
  Se  Se5  2  0.4059  0.2500  0.1579  1.0
]