data_[Nd4Y2I2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.2333]
_cell_length_b [7.3784]
_cell_length_c [6.9803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Nd2YIO8]
_chemical_formula_sum '[Nd4 Y2 I2 O16]'
_cell_volume [372.5382]
_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  0.0000  0.5000  0.2490  1
  Y  Y1  2  0.0000  0.0000  0.5000  1
  I  I2  2  0.0000  0.0000  0.0000  1
  O  O3  8  0.0000  0.1752  0.2051  1
  O  O4  4  0.1972  0.5000  0.5000  1
  O  O5  4  0.2390  0.5000  0.0000  1
]