data_[Ni2B2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.0283]
_cell_length_b [3.0012]
_cell_length_c [5.4068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0752]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NiBPd]
_chemical_formula_sum '[Ni2 B2 Pd2]'
_cell_volume [64.3598]
_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
[
  Ni  Ni0  2  0.3255  0.2500  0.8455  1.0
  B  B1  2  0.1380  0.7500  0.0359  1.0
  Pd  Pd2  2  0.2217  0.2500  0.3523  1.0
]