data_[Rb8Cu4Pb4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6814]
_cell_length_b [21.3943]
_cell_length_c [15.5412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2CuPbI5]
_chemical_formula_sum '[Rb8 Cu4 Pb4 I20]'
_cell_volume [1556.5352]
_cell_formula_units_Z [4]
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
[
  Rb  Rb0  4  0.0000  0.1153  0.6912  1.0
  Rb  Rb1  4  0.0000  0.1211  0.3353  1.0
  Cu  Cu2  4  0.0000  0.4415  0.4252  1.0
  Pb  Pb3  4  0.0000  0.1964  0.0255  1.0
  I  I4  4  0.0000  0.0431  0.0077  1.0
  I  I5  4  0.0000  0.2969  0.6716  1.0
  I  I6  4  0.0000  0.3124  0.3770  1.0
  I  I7  4  0.0000  0.3452  0.0135  1.0
  I  I8  4  0.0000  0.4986  0.2770  1.0
]