data_[La16Nd2Y10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.8017]
_cell_length_b [9.8017]
_cell_length_c [10.5462]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [La8NdY5]
_chemical_formula_sum '[La16 Nd2 Y10]'
_cell_volume [1013.2121]
_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
[
  La  La0  8  0.0682  0.3307  0.5971  1
  La  La1  8  0.0931  0.1840  0.2506  1
  Nd  Nd2  2  0.0000  0.5000  0.2500  1
  Y  Y3  8  0.1094  0.1997  0.9264  1
  Y  Y4  2  0.0000  0.0000  0.5000  1
]