data_[Cs2Sb4Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9899]
_cell_length_b [7.1119]
_cell_length_c [10.1166]
_cell_angle_alpha [80.0847]
_cell_angle_beta [87.6276]
_cell_angle_gamma [75.3862]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs(SbSe2)2]
_chemical_formula_sum '[Cs2 Sb4 Se8]'
_cell_volume [479.3717]
_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  0.3115  0.3296  0.9297  1.0
  Sb  Sb1  2  0.0939  0.8986  0.3301  1.0
  Sb  Sb2  2  0.3529  0.3116  0.4569  1.0
  Se  Se3  2  0.0896  0.9181  0.9129  1.0
  Se  Se4  2  0.1945  0.5672  0.2359  1.0
  Se  Se5  2  0.2897  0.6569  0.5979  1.0
  Se  Se6  2  0.4191  0.0202  0.2871  1.0
]