data_[Na8In4Pb4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  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 [4.3367]
_cell_length_b [18.7227]
_cell_length_c [15.9332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2InPbBr5]
_chemical_formula_sum '[Na8 In4 Pb4 Br20]'
_cell_volume [1293.6800]
_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  0.0286  0.6566  1.0
  Na  Na1  4  0.0000  0.1476  0.2529  1.0
  In  In2  4  0.0000  0.4204  0.4263  1.0
  Pb  Pb3  4  0.0000  0.2852  0.0406  1.0
  Br  Br4  4  0.0000  0.1211  0.0649  1.0
  Br  Br5  4  0.0000  0.2057  0.6785  1.0
  Br  Br6  4  0.0000  0.2327  0.4059  1.0
  Br  Br7  4  0.0000  0.4432  0.0341  1.0
  Br  Br8  4  0.0000  0.4601  0.7641  1.0
]