data_[Na6Sn3Pb3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.6255]
_cell_length_b [7.6255]
_cell_length_c [20.4506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2SnPbBr6]
_chemical_formula_sum '[Na6 Sn3 Pb3 Br18]'
_cell_volume [1029.8367]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4839  1
  Na  Na1  3  0.0000  0.0000  0.9862  1
  Sn  Sn2  3  0.0000  0.0000  0.6779  1
  Pb  Pb3  3  0.0000  0.0000  0.1796  1
  Br  Br4  9  0.0039  0.3060  0.0845  1
  Br  Br5  9  0.0077  0.7050  0.5857  1
]