data_[Nd3Dy1I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [8.3860]
_cell_length_b [19.2137]
_cell_length_c [7.2630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Nd3DyI8]
_chemical_formula_sum '[Nd3 Dy1 I8]'
_cell_volume [1170.2563]
_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
[
  Nd  Nd0  2  0.2508  0.0000  0.5002  1
  Nd  Nd1  1  0.0000  0.0000  0.9954  1
  Dy  Dy2  1  0.5000  0.0000  0.0001  1
  I  I3  4  0.2564  0.1068  0.1618  1
  I  I4  2  0.0000  0.1097  0.6630  1
  I  I5  2  0.5000  0.1071  0.6765  1
]