data_[Na2Tl2Pb2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5748]
_cell_length_b [8.7896]
_cell_length_c [9.2148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8664]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaTlPbI4]
_chemical_formula_sum '[Na2 Tl2 Pb2 I8]'
_cell_volume [671.2650]
_cell_formula_units_Z [2]
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  0.2804  0.7500  0.3266  1.0
  Tl  Tl1  2  0.1760  0.2500  0.0420  1.0
  Pb  Pb2  2  0.1877  0.2500  0.5463  1.0
  I  I3  4  0.0082  0.5030  0.2731  1.0
  I  I4  2  0.4616  0.2500  0.8483  1.0
  I  I5  2  0.4628  0.2500  0.3737  1.0
]