data_[Nd8Y10]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [10.8931]
_cell_length_b [10.8931]
_cell_length_c [5.1241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Nd4Y5]
_chemical_formula_sum '[Nd8 Y10]'
_cell_volume [608.0291]
_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  8  0.1668  0.8332  0.5000  1.0
  Y  Y1  8  0.0000  0.3339  0.0000  1.0
  Y  Y2  2  0.0000  0.0000  0.0000  1.0
]