data_[Cs2Ba2As2Se8]
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
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3394]
_cell_length_b [7.3025]
_cell_length_c [10.2255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1163]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsBaAsSe4]
_chemical_formula_sum '[Cs2 Ba2 As2 Se8]'
_cell_volume [523.7665]
_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  0.2680  0.2500  0.0652  1
  Ba  Ba1  2  0.2340  0.2500  0.5447  1
  As  As2  2  0.1922  0.7500  0.3085  1
  Se  Se3  4  0.0101  0.5068  0.7336  1
  Se  Se4  2  0.3562  0.7500  0.5445  1
  Se  Se5  2  0.3967  0.7500  0.1709  1
]