data_[Nd6Y6Cd2]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6256]
_cell_length_b [5.5598]
_cell_length_c [10.1539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7076]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd3Y3Cd]
_chemical_formula_sum '[Nd6 Y6 Cd2]'
_cell_volume [452.4165]
_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  2  0.1301  0.7500  0.4624  1.0
  Nd  Nd1  2  0.4160  0.7500  0.8625  1.0
  Nd  Nd2  2  0.4175  0.2500  0.4180  1.0
  Y  Y3  2  0.0182  0.2500  0.2142  1.0
  Y  Y4  2  0.1667  0.2500  0.9356  1.0
  Y  Y5  2  0.2826  0.7500  0.1735  1.0
  Cd  Cd6  2  0.2872  0.2500  0.6733  1.0
]