data_[Cs2Cu4Sb4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5407]
_cell_length_b [6.9206]
_cell_length_c [7.0530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsCu2(SbSe3)2]
_chemical_formula_sum '[Cs2 Cu4 Sb4 Se12]'
_cell_volume [801.1685]
_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  0.0000  0.5000  0.5000  1.0
  Cu  Cu1  4  0.1541  0.0000  0.0378  1.0
  Sb  Sb2  4  0.2107  0.0000  0.5493  1.0
  Se  Se3  8  0.1689  0.2547  0.2569  1.0
  Se  Se4  4  0.0859  0.0000  0.7307  1.0
]