data_[Nd4Be2Pd10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Be  1.5700  1.0500  0.5900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [5.9701]
_cell_length_b [5.9701]
_cell_length_c [8.6194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Nd2BePd5]
_chemical_formula_sum '[Nd4 Be2 Pd10]'
_cell_volume [307.2100]
_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  0.0000  0.5000  0.2482  1
  Be  Be1  2  0.0000  0.0000  0.9768  1
  Pd  Pd2  8  0.2364  0.2364  0.4994  1
  Pd  Pd3  2  0.0000  0.0000  0.2523  1
]