data_[Na2Nd2Pb2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [7.6004]
_cell_length_b [7.6004]
_cell_length_c [14.2924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [NaNdPbI6]
_chemical_formula_sum '[Na2 Nd2 Pb2 I12]'
_cell_volume [825.6150]
_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  0.0000  0.0000  0.6673  1.0
  Nd  Nd1  2  0.0000  0.0000  0.3336  1.0
  Pb  Pb2  2  0.0000  0.0000  0.9999  1.0
  I  I3  4  0.1957  0.8043  0.4964  1.0
  I  I4  4  0.1961  0.8039  0.1720  1.0
  I  I5  4  0.2064  0.7936  0.8313  1.0
]