data_[Nd4Y8]
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/m]
_cell_length_a [15.7192]
_cell_length_b [3.6133]
_cell_length_c [7.2498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6132]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdY2]
_chemical_formula_sum '[Nd4 Y8]'
_cell_volume [400.2013]
_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  4  0.1673  0.0000  0.0840  1.0
  Y  Y1  4  0.0002  0.5000  0.2520  1.0
  Y  Y2  4  0.1660  0.0000  0.5822  1.0
]