data_[Cs2Pb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.5173]
_cell_length_b [7.7696]
_cell_length_c [8.4496]
_cell_angle_alpha [113.6090]
_cell_angle_beta [111.8668]
_cell_angle_gamma [94.7712]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsPbSe3]
_chemical_formula_sum '[Cs2 Pb2 Se6]'
_cell_volume [403.7000]
_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  0.1525  0.8659  0.2263  1.0
  Pb  Pb1  2  0.4248  0.5256  0.6970  1.0
  Se  Se2  2  0.2075  0.4006  0.2972  1.0
  Se  Se3  2  0.3400  0.9284  0.8570  1.0
  Se  Se4  2  0.3421  0.1878  0.7697  1.0
]