data_[Nd4Y6Pd4]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7488]
_cell_length_b [3.7231]
_cell_length_c [9.2509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3312]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Y3Pd2]
_chemical_formula_sum '[Nd4 Y6 Pd4]'
_cell_volume [390.0780]
_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  4  0.1575  0.0000  0.8129  1.0
  Y  Y1  4  0.1142  0.5000  0.4401  1.0
  Y  Y2  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd3  4  0.1670  0.0000  0.2390  1.0
]