data_[Nd8In2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7397]
_cell_length_b [4.3997]
_cell_length_c [9.2668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4InI5]
_chemical_formula_sum '[Nd8 In2 I10]'
_cell_volume [787.4341]
_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  0.0013  0.0000  0.2301  1.0
  Nd  Nd1  4  0.1561  0.5000  0.0729  1.0
  In  In2  2  0.0000  0.5000  0.0000  1.0
  I  I3  4  0.1680  0.0000  0.3299  1.0
  I  I4  4  0.1707  0.0000  0.8227  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]