data_[Cs4Sb4Se8]
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 [P2_1/c]
_cell_length_a [8.0709]
_cell_length_b [10.2635]
_cell_length_c [7.5901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsSbSe2]
_chemical_formula_sum '[Cs4 Sb4 Se8]'
_cell_volume [613.8855]
_cell_formula_units_Z [4]
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  0.3459  0.5635  0.2140  1.0
  Sb  Sb1  4  0.0889  0.1651  0.1352  1.0
  Se  Se2  4  0.1760  0.5751  0.6971  1.0
  Se  Se3  4  0.3111  0.2484  0.9558  1.0
]