data_[Cs4Pb4Se6]
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 [C2/m]
_cell_length_a [16.8969]
_cell_length_b [4.6936]
_cell_length_c [9.0496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2954]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Pb2Se3]
_chemical_formula_sum '[Cs4 Pb4 Se6]'
_cell_volume [631.9435]
_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  4  0.1025  0.5000  0.8417  1.0
  Pb  Pb1  4  0.1699  0.0000  0.3113  1.0
  Se  Se2  4  0.2299  0.0000  0.7117  1.0
  Se  Se3  2  0.0000  0.0000  0.0000  1.0
]