data_[Na8Cu4Pb4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [4.4590]
_cell_length_b [20.9937]
_cell_length_c [14.4989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2CuPbI5]
_chemical_formula_sum '[Na8 Cu4 Pb4 I20]'
_cell_volume [1357.2665]
_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
[
  Na  Na0  4  0.0000  0.0743  0.6480  1.0
  Na  Na1  4  0.0000  0.1051  0.3353  1.0
  Cu  Cu2  4  0.0000  0.4285  0.4221  1.0
  Pb  Pb3  4  0.0000  0.2041  0.0390  1.0
  I  I4  4  0.0000  0.0483  0.0160  1.0
  I  I5  4  0.0000  0.3057  0.3787  1.0
  I  I6  4  0.0000  0.3059  0.7009  1.0
  I  I7  4  0.0000  0.3601  0.0127  1.0
  I  I8  4  0.0000  0.4970  0.2710  1.0
]