data_[Nd8Pb2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [19.5632]
_cell_length_b [4.4185]
_cell_length_c [9.2997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4136]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4PbI5]
_chemical_formula_sum '[Nd8 Pb2 I10]'
_cell_volume [787.9728]
_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
[
  Nd  Nd0  4  0.0015  0.0000  0.2317  1
  Nd  Nd1  4  0.1600  0.5000  0.0678  1
  Pb  Pb2  2  0.0000  0.5000  0.0000  1
  I  I3  4  0.1684  0.0000  0.3240  1
  I  I4  4  0.1693  0.0000  0.8152  1
  I  I5  2  0.0000  0.5000  0.5000  1
]