data_[Cs2Pb4Se6]
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 [Pmc2_1]
_cell_length_a [4.1364]
_cell_length_b [12.7660]
_cell_length_c [8.1329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [CsPb2Se3]
_chemical_formula_sum '[Cs2 Pb4 Se6]'
_cell_volume [429.4542]
_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  0.1352  0.5098  1.0
  Pb  Pb1  2  0.0000  0.2301  0.0104  1.0
  Pb  Pb2  2  0.5000  0.4932  0.5339  1.0
  Se  Se3  2  0.0000  0.4021  0.2365  1.0
  Se  Se4  2  0.5000  0.0947  0.1377  1.0
  Se  Se5  2  0.5000  0.3155  0.7730  1.0
]