data_[Cs4Ba2As4Se12]
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 [C2/m]
_cell_length_a [13.7244]
_cell_length_b [7.8448]
_cell_length_c [7.9790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Ba(AsSe3)2]
_chemical_formula_sum '[Cs4 Ba2 As4 Se12]'
_cell_volume [849.4797]
_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  4  0.2168  0.0000  0.8126  1.0
  Ba  Ba1  2  0.0000  0.5000  0.5000  1.0
  As  As2  4  0.1154  0.0000  0.3219  1.0
  Se  Se3  8  0.0337  0.2389  0.1818  1.0
  Se  Se4  4  0.2182  0.5000  0.7261  1.0
]