data_[Li4Ni2B4Pd10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P4/mbm]
_cell_length_a [9.4709]
_cell_length_b [9.4709]
_cell_length_c [2.9050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Li2NiB2Pd5]
_chemical_formula_sum '[Li4 Ni2 B4 Pd10]'
_cell_volume [260.5746]
_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
[
  Li  Li0  4  0.1770  0.3230  0.0000  1
  Ni  Ni1  2  0.0000  0.0000  0.0000  1
  B  B2  4  0.1297  0.6297  0.0000  1
  Pd  Pd3  8  0.0704  0.7841  0.5000  1
  Pd  Pd4  2  0.0000  0.5000  0.5000  1
]