data_[Na8Cu4Pb4Br20]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1904]
_cell_length_b [19.4788]
_cell_length_c [13.3490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2CuPbBr5]
_chemical_formula_sum '[Na8 Cu4 Pb4 Br20]'
_cell_volume [1089.6113]
_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  0.0777  0.6548  1.0
  Na  Na1  4  0.0000  0.1017  0.3427  1.0
  Cu  Cu2  4  0.0000  0.4308  0.4218  1.0
  Pb  Pb3  4  0.0000  0.2019  0.0370  1.0
  Br  Br4  4  0.0000  0.0419  0.0138  1.0
  Br  Br5  4  0.0000  0.3075  0.7001  1.0
  Br  Br6  4  0.0000  0.3082  0.3713  1.0
  Br  Br7  4  0.0000  0.3587  0.0156  1.0
  Br  Br8  4  0.0000  0.4996  0.2668  1.0
]