data_[Na8Li4Pb4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  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 [4.2524]
_cell_length_b [19.3254]
_cell_length_c [13.8657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2LiPbBr5]
_chemical_formula_sum '[Na8 Li4 Pb4 Br20]'
_cell_volume [1139.4639]
_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  0.0591  0.6390  1.0
  Na  Na1  4  0.0000  0.1105  0.3351  1.0
  Li  Li2  4  0.0000  0.4243  0.4143  1.0
  Pb  Pb3  4  0.0000  0.2163  0.0482  1.0
  Br  Br4  4  0.0000  0.0599  0.0116  1.0
  Br  Br5  4  0.0000  0.2918  0.3928  1.0
  Br  Br6  4  0.0000  0.3042  0.7043  1.0
  Br  Br7  4  0.0000  0.3743  0.0112  1.0
  Br  Br8  4  0.0000  0.4972  0.2674  1.0
]