data_[Cs2Pb2I2]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2389]
_cell_length_b [6.9081]
_cell_length_c [10.0326]
_cell_angle_alpha [72.0707]
_cell_angle_beta [75.3721]
_cell_angle_gamma [67.8688]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsPbI]
_chemical_formula_sum '[Cs2 Pb2 I2]'
_cell_volume [316.1399]
_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  0.4265  0.4006  0.2549  1
  Pb  Pb1  2  0.1772  0.1403  0.0054  1
  I  I2  2  0.3013  0.2131  0.6713  1
]