data_[Li4B4Pd10Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.7447]
_cell_length_b [9.7447]
_cell_length_c [2.9840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Li2B2Pd5Au]
_chemical_formula_sum '[Li4 B4 Pd10 Au2]'
_cell_volume [283.3572]
_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  0.1772  0.6772  0.0000  1.0
  B  B1  4  0.1259  0.3741  0.0000  1.0
  Pd  Pd2  8  0.0717  0.2265  0.5000  1.0
  Pd  Pd3  2  0.0000  0.5000  0.5000  1.0
  Au  Au4  2  0.0000  0.0000  0.0000  1.0
]