data_[Na2Ir1Pb1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.4832]
_cell_length_b [8.6594]
_cell_length_c [6.9165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9453]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2IrPbBr8]
_chemical_formula_sum '[Na2 Ir1 Pb1 Br8]'
_cell_volume [387.7835]
_cell_formula_units_Z [1]
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  2  0.5000  0.2360  0.5000  1.0
  Ir  Ir1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  1  0.0000  0.5000  0.0000  1.0
  Br  Br3  4  0.2258  0.2068  0.8710  1.0
  Br  Br4  2  0.2130  0.0000  0.3145  1.0
  Br  Br5  2  0.2815  0.5000  0.3401  1.0
]