data_CsPb2Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   8.03
_cell_length_c   9.02
_cell_angle_alpha   105.64
_cell_angle_beta   98.43
_cell_angle_gamma   109.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsPb2Cl5
_chemical_formula_sum   'Cs1 Pb2 Cl5'
_cell_volume   367.96
_cell_formula_units_Z   1
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  1  0.3  0.19  0.89  1.0
  Pb  Pb1  1  0.14  0.97  0.38  1.0
  Pb  Pb2  1  0.4  0.67  0.19  1.0
  Cl  Cl3  1  0.29  0.99  0.16  1.0
  Cl  Cl4  1  0.63  0.29  0.46  1.0
  Cl  Cl5  1  0.45  0.71  0.29  1.0
  Cl  Cl6  1  0.67  0.78  0.92  1.0
  Cl  Cl7  1  0.69  0.75  0.73  1.0

data_CsPb2Cl5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.79
_cell_length_b   8.03
_cell_length_c   9.02
_cell_angle_alpha   105.64
_cell_angle_beta   98.43
_cell_angle_gamma   109.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsPb2Cl5
_chemical_formula_sum   'Cs1 Pb2 Cl5'
_cell_volume   367.96
_cell_formula_units_Z   1
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  1  0.3  0.19  0.89  1.0
  Pb  Pb1  1  0.14  0.97  0.38  1.0
  Pb  Pb2  1  0.4  0.67  0.19  1.0
  Cl  Cl3  1  0.29  0.99  0.16  1.0
  Cl  Cl4  1  0.45  0.71  0.29  1.0
  Cl  Cl5  1  0.63  0.29  0.46  1.0
  Cl  Cl6  1  0.67  0.78  0.92  1.0
  Cl  Cl7  1  0.69  0.75  0.73  1.0

Cs Pb Pb Cl Cl Cl Cl Cl
Cs Pb Pb Cl Cl Cl Cl Cl 0 7 - - o 0 6 - - o 0 2 o o + 0 3 o - + 1 3 o o o 1 4 o + o 2 5 o o o 3 4 o + o 6 7 o o o 