data_[Cs4Sb2As4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sb  2.0500  1.4500  0.8300
  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 [13.3211]
_cell_length_b [7.6985]
_cell_length_c [8.6982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Sb(AsSe3)2]
_chemical_formula_sum '[Cs4 Sb2 As4 Se12]'
_cell_volume [773.8224]
_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  0.2333  0.5000  0.2118  1.0
  Sb  Sb1  2  0.0000  0.5000  0.5000  1.0
  As  As2  4  0.0593  0.0000  0.1855  1.0
  Se  Se3  8  0.0135  0.2634  0.7606  1.0
  Se  Se4  4  0.2426  0.5000  0.7449  1.0
]