data_[Nd8Y12]
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 [C2/c]
_cell_length_a [12.0752]
_cell_length_b [6.4049]
_cell_length_c [9.3739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0082]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd2Y3]
_chemical_formula_sum '[Nd8 Y12]'
_cell_volume [681.2229]
_cell_formula_units_Z [4]
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  0.0993  0.3315  0.9500  1.0
  Y  Y1  8  0.2018  0.1659  0.6507  1.0
  Y  Y2  4  0.0000  0.1677  0.2500  1.0
]